N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-7742 |
| Compound Name: | N-tert-butyl-4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C32 H38 F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(NC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5976 |
| logD: | 5.5906 |
| logSw: | -5.3504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.92 |
| InChI Key: | MLBFOIIQTZUHFY-UHFFFAOYSA-N |