| CAS Number | 1609281-86-8 |
| Catalog Number | AG00ABN0 |
| Chemical Name | 2-[(Aminocarbonyl)amino]-5-[4-(3,5-dimethyl-4-isoxazolyl)-2-[(3S)-3-pyrrolidinyloxy]phenyl]-3-thiophenecarboxamide |
| IUPAC Name | 2-(carbamoylamino)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]oxyphenyl]thiophene-3-carboxamide |
| InChI | InChI=1S/C21H23N5O4S/c1-10-18(11(2)30-26-10)12-3-4-14(16(7-12)29-13-5-6-24-9-13)17-8-15(19(22)27)20(31-17)25-21(23)28/h3-4,7-8,13,24H,5-6,9H2,1-2H3,(H2,22,27)(H3,23,25,28)/t13-/m0/s1 |
| InChI Key | NMFIXEFNQPDISY-ZDUSSCGKSA-N |
| MDL Number | MFCD29472277 |
| Molecular Formula | C21H23N5O4S |
| Molecular Weight | 441.5034 |
| SMILES | O(c1c(ccc(c1)c1c(C)noc1C)c1sc(c(c1)C(=O)N)NC(=O)N)[C@H]1CCNC1 |
| UNII | 2TT3S8GPB7 |
| Synonyms | AZD3264,
1609281-86-8,
UNII-2TT3S8GPB7,
2TT3S8GPB7,
AZD-3264,
AZD 3264 [WHO-DD],
BCP23957,
EX-A2294,
s7851,
AKOS030526605,
ZINC230816037,
CS-5232,
HY-19362,
2-(carbamoylamino)-5-[4-(dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yloxy]phenyl]thiophene-3-carboxamide,
3-Thiophenecarboxamide, 2-((aminocarbonyl)amino)-5-(4-(3,5-dimethyl-4-isoxazolyl)-2-((3S)-3-pyrrolidinyloxy)phenyl)-,
A15900,
|
| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.506g/mol |
| Monoisotopic Mass | 441.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number