2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | S466-0454 |
| Compound Name: | 2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9477 |
| logD: | 2.9477 |
| logSw: | -3.364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.432 |
| InChI Key: | AJFCFIQZHORKDI-UHFFFAOYSA-N |