1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0306 |
| Compound Name: | 1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N,N-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C19 H20 N6 O4 |
| Smiles: | CN(C)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.677 |
| logD: | 0.677 |
| logSw: | -1.9636 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.497 |
| InChI Key: | JBAXSCSDMGNHCY-UHFFFAOYSA-N |