N-tert-butyl-4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V009-4119 |
| Compound Name: | N-tert-butyl-4-[4-(4-chlorobenzamido)-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 580.1 |
| Molecular Formula: | C31 H35 Cl F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7689 |
| logD: | 5.7602 |
| logSw: | -5.8715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.92 |
| InChI Key: | YNBCTTJACNZRRC-UHFFFAOYSA-N |