N-{4-(azepan-1-yl)-3-[(4-bromo-3-methylphenyl)carbamamido]phenyl}benzamide
Chemical Structure Depiction of
N-{4-(azepan-1-yl)-3-[(4-bromo-3-methylphenyl)carbamamido]phenyl}benzamide
N-{4-(azepan-1-yl)-3-[(4-bromo-3-methylphenyl)carbamamido]phenyl}benzamide
Compound characteristics
| Compound ID: | F788-0061 |
| Compound Name: | N-{4-(azepan-1-yl)-3-[(4-bromo-3-methylphenyl)carbamamido]phenyl}benzamide |
| Molecular Weight: | 521.46 |
| Molecular Formula: | C27 H29 Br N4 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(Nc1cc(ccc1N1CCCCCC1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1236 |
| logD: | 6.8646 |
| logSw: | -5.567 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.417 |
| InChI Key: | KCRIDXSDFBCPKU-UHFFFAOYSA-N |