2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-propylbenzamide
2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | V026-2955 |
| Compound Name: | 2-chloro-N-{[2-(dimethylamino)-5-(3,3-dimethylbutanamido)phenyl]methyl}-N-propylbenzamide |
| Molecular Weight: | 444.02 |
| Molecular Formula: | C25 H34 Cl N3 O2 |
| Salt: | not_available |
| Smiles: | CCCN(Cc1cc(ccc1N(C)C)NC(CC(C)(C)C)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4991 |
| logD: | 5.4862 |
| logSw: | -5.7786 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.081 |
| InChI Key: | KYRJNMSFVLPUGH-UHFFFAOYSA-N |