1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0424 |
| Compound Name: | 1-{2-[(2,5-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)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0244 |
| logD: | 2.0244 |
| logSw: | -2.6625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.342 |
| InChI Key: | SYVOOKVITCHVET-UHFFFAOYSA-N |