4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-7731 |
| Compound Name: | 4-(4-benzamido-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-tert-butyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C31 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0691 |
| logD: | 5.0622 |
| logSw: | -4.7401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.92 |
| InChI Key: | VJNWAAUSDKNJJY-UHFFFAOYSA-N |