N-tert-butyl-4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-1,4-diazepane-1-carboxamide
N-tert-butyl-4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-2519 |
| Compound Name: | N-tert-butyl-4-(4-[(cyclopropanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C28 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(C1CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3571 |
| logD: | 4.3503 |
| logSw: | -4.2834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.443 |
| InChI Key: | PBMQEUAMNGXZEK-UHFFFAOYSA-N |