1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0472 |
| Compound Name: | 1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8153 |
| logD: | 1.8153 |
| logSw: | -2.3809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.156 |
| InChI Key: | NWEONAAJSLOHFI-UHFFFAOYSA-N |