2-benzyl-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-benzyl-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-benzyl-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0144 |
| Compound Name: | 2-benzyl-N-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | COc1ccc(CNC(c2ccc3CN(CCCn23)Cc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6013 |
| logD: | 3.555 |
| logSw: | -3.6529 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.747 |
| InChI Key: | CTKQHIUSAJDPPE-UHFFFAOYSA-N |