4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9510 |
| Compound Name: | 4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C30 H31 F2 N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(C1CC1)=O)C(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.867 |
| logD: | 4.865 |
| logSw: | -4.738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.328 |
| InChI Key: | KDNNVZWYBUKNJB-UHFFFAOYSA-N |