4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G373-2498 |
| Compound Name: | 4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C21 H22 Cl2 N4 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(N1CCCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.071 |
| logD: | 4.8474 |
| logSw: | -5.2108 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.326 |
| InChI Key: | BVLQLAGVLTVFIY-UHFFFAOYSA-N |