N-tert-butyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-1,4-diazepane-1-carboxamide
N-tert-butyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V012-8073 |
| Compound Name: | N-tert-butyl-4-{4-[(4-methylbenzene-1-sulfonyl)amino]-2-(piperidine-1-carbonyl)phenyl}-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C29 H41 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(N1CCCCC1)=O)N1CCCN(CC1)C(NC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8011 |
| logD: | 4.6953 |
| logSw: | -4.4615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.713 |
| InChI Key: | YMNFSHQIEOAFMY-UHFFFAOYSA-N |