1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0427 |
| Compound Name: | 1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5171 |
| logD: | 1.5171 |
| logSw: | -2.1733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.301 |
| InChI Key: | NJPZSZAOGNULBQ-UHFFFAOYSA-N |