N-(3-cyanophenyl)-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-cyanophenyl)-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-cyanophenyl)-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: | S466-0499 |
| Compound Name: | N-(3-cyanophenyl)-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: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3478 |
| logD: | 2.3474 |
| logSw: | -2.9882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.488 |
| InChI Key: | KWPBLKSTGKXMMZ-UHFFFAOYSA-N |