7-[3-(cyclopropylamino)-3-oxopropyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(cyclopropylamino)-3-oxopropyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(cyclopropylamino)-3-oxopropyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-1850 |
| Compound Name: | 7-[3-(cyclopropylamino)-3-oxopropyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | Cc1ccc(CNC(N2CCOc3ccc(CCC(NC4CC4)=O)cc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1817 |
| logD: | 3.1817 |
| logSw: | -3.2929 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.23 |
| InChI Key: | USCPGVGYSNQXOB-UHFFFAOYSA-N |