methyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8016-2074 |
| Compound Name: | methyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H19 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6481 |
| logD: | 3.6343 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.582 |
| InChI Key: | KACJHQDXSOZDKP-UHFFFAOYSA-N |