N-[4-(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-[4-(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
| Compound ID: | G217-1242 |
| Compound Name: | N-[4-(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C30 H35 N3 O3 |
| Smiles: | CCCCOc1ccc(CNC(Cc2ccc(cc2)NC(N2CCCCc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1802 |
| logD: | 6.1802 |
| logSw: | -5.3539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.321 |
| InChI Key: | NCPQCGBQWYDZJL-UHFFFAOYSA-N |