| CAS Number | 557782-81-7 |
| Catalog Number | AG00DM2T(AGN-PC-0WOIPK) |
| Chemical Name | N-(4,5-Dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide |
| IUPAC Name | N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide |
| InChI | InChI=1S/C21H20N2O3S/c1-25-16-9-7-13(11-17(16)26-2)12-19(24)22-21-23-20-15-6-4-3-5-14(15)8-10-18(20)27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,23,24) |
| InChI Key | DQNMDJGZWFZNHS-UHFFFAOYSA-N |
| MDL Number | MFCD07821731 |
| Molecular Formula | C21H20N2O3S |
| Molecular Weight | 380.4601 |
| SMILES | N1=C(SC2=C1C1=CC=CC=C1CC2)NC(CC2=CC(=C(C=C2)OC)OC)=O |
| Synonyms | ZINC00881524,
557782-81-7,
ZINC00881524 (ROCK inhibitor),
N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide,
zinc00881524-rock-inhibitor,
ZINC881524,
BCP25184,
EX-A1504,
s8448,
AKOS001072293,
ZINC-00881524,
CS-6520,
MCULE-2808610865,
HY-101244,
ROCK Inhibitor,
CID1138914,
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| Complexity | 520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.462g/mol |
| Monoisotopic Mass | 380.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number