N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-4307 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3c(c4ccccc4[nH]3)nn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6725 |
| logD: | 1.6725 |
| logSw: | -2.5771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.108 |
| InChI Key: | FUWSTNXVKRBGSR-UHFFFAOYSA-N |