N-(4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)thiophene-2-carboxamide
N-(4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V025-4664 |
| Compound Name: | N-(4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 574.65 |
| Molecular Formula: | C31 H28 F2 N4 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1cccs1)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1958 |
| logD: | 5.1956 |
| logSw: | -5.299 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.7 |
| InChI Key: | WOPZKYKQVDRWEM-UHFFFAOYSA-N |