| CAS Number | 1071638-38-4 |
| Catalog Number | AG008THN |
| Chemical Name | MAC-13243 |
| IUPAC Name | 6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;hydrochloride |
| InChI | InChI=1S/C20H24ClN3O2S.ClH/c1-25-18-8-5-15(11-19(18)26-2)9-10-24-13-22-20(23-14-24)27-12-16-3-6-17(21)7-4-16;/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,23);1H |
| InChI Key | VCJIDISBDZWDOJ-UHFFFAOYSA-N |
| MDL Number | MFCD18782745 |
| Molecular Formula | C20H25Cl2N3O2S |
| Molecular Weight | 442.4024 |
| SMILES | C1C=C(CSC2=NCN(CCC3C=CC(OC)=C(OC)C=3)CN2)C=CC=1Cl.Cl |
| Synonyms | MAC13243,
1071638-38-4,
AC1MD766,
DTXSID20384516,
HY-14456A,
AKOS030526236,
CS-1183,
MAC 13243;MAC-13243,
6-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine hydrochloride,
MAC-13243,
CID2806781,
CID 2806781,
A3580,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.399g/mol |
| Monoisotopic Mass | 441.104g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number