5-amino-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1529 |
| Compound Name: | 5-amino-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C23 H26 N6 O6 |
| Smiles: | COc1ccc(CCNC(c2c(N)n(CC(Nc3ccc4c(c3)OCCO4)=O)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | -0.2968 |
| logD: | -0.2969 |
| logSw: | -2.029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.685 |
| InChI Key: | XVNRNHPVGSVNTK-UHFFFAOYSA-N |