N-(3-chloro-2-methylphenyl)-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)acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-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)acetamide
N-(3-chloro-2-methylphenyl)-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)acetamide
Compound characteristics
| Compound ID: | S466-0460 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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)acetamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C21 H23 Cl N4 O2 |
| Smiles: | Cc1c(cccc1[Cl])NC(Cn1c(C)cc2c1C(N1CCCCCC1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2942 |
| logD: | 3.2935 |
| logSw: | -3.5168 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.734 |
| InChI Key: | AEUIAORTAORMBY-UHFFFAOYSA-N |