N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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: | S466-0467 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 412.92 |
| Molecular Formula: | C22 H25 Cl N4 O2 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.434 |
| logD: | 2.434 |
| logSw: | -3.4544 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.595 |
| InChI Key: | VSCRCZFHDJLMIN-UHFFFAOYSA-N |