N-(4-chloro-2-methoxy-5-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-(4-chloro-2-methoxy-5-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-(4-chloro-2-methoxy-5-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: | S466-0534 |
| Compound Name: | N-(4-chloro-2-methoxy-5-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: | 428.92 |
| Molecular Formula: | C22 H25 Cl N4 O3 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(Cn1c(C)cc2c1C(N1CCCCCC1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4378 |
| logD: | 3.432 |
| logSw: | -3.755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.364 |
| InChI Key: | LKOBHBOFWWIXTQ-UHFFFAOYSA-N |