N-tert-butyl-4-[2-(diethylcarbamoyl)-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-[2-(diethylcarbamoyl)-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
N-tert-butyl-4-[2-(diethylcarbamoyl)-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V012-9811 |
| Compound Name: | N-tert-butyl-4-[2-(diethylcarbamoyl)-4-(4-methylbenzamido)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 507.68 |
| Molecular Formula: | C29 H41 N5 O3 |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(NC(C)(C)C)=O)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5396 |
| logD: | 4.5253 |
| logSw: | -4.225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.439 |
| InChI Key: | ACYZBFKKYLSZCU-UHFFFAOYSA-N |