N-[(3-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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: | S466-0471 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-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: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1619 |
| logD: | 2.1619 |
| logSw: | -2.687 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.298 |
| InChI Key: | HEMSVNNESLMFJE-UHFFFAOYSA-N |