AC1MXG6N
1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one
Also Known As: AF-399/40851319|SR-01000505138-1|1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one|F1174-0538|1-(4-chlorobenzoyl)-3-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)azepan-2-one|1-(4-chlorobenzoyl)-3-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}azepan-2-one|1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)-2-azepanone
| Molecular Formula | C23H22ClN3O2S2 |
|---|---|
| Molecular Weight | 471.0842 g/mol |
| LogP | 5.5371 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.0842 |
| Monoisotopic Mass | 471.0842 |
| Heavy Atoms | 31 |
| Complexity | 1145.6792 |
Chemical Identifiers
| CAS Number | 379237-70-4 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C4=C(S3)CCCC4)C(=O)C5=CC=C(C=C5)Cl |
Product Overview
AC1MXG6N (CAS 379237-70-4), with molecular formula C23H22ClN3O2S2 and molecular weight 471.0842 g/mol. IUPAC: 1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one.