N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(4-methylbenzene-1-sulfonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(4-methylbenzene-1-sulfonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(4-methylbenzene-1-sulfonyl)amino]phenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9662 |
| Compound Name: | N-tert-butyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-[(4-methylbenzene-1-sulfonyl)amino]phenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 595.74 |
| Molecular Formula: | C31 H38 F N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(NC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5097 |
| logD: | 5.4069 |
| logSw: | -5.3738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.478 |
| InChI Key: | PSTLYVWVKNHWGA-UHFFFAOYSA-N |