1-{2-[(3,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(3,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0425 |
| Compound Name: | 1-{2-[(3,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6752 |
| logD: | 2.6752 |
| logSw: | -3.0987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.04 |
| InChI Key: | VBDKJKMZHLFLBY-UHFFFAOYSA-N |