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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S466-0422 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | Cc1ccc(CNC(Cn2c(C)cc3c2C(N2CCCCCC2=N3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4879 |
| logD: | 2.4879 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.754 |
| InChI Key: | AEEAHEHVGAHUFL-UHFFFAOYSA-N |