propan-2-yl 4-(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
propan-2-yl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate
propan-2-yl 4-(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: | 8013-3083 |
| Compound Name: | propan-2-yl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6192 |
| logD: | 4.6191 |
| logSw: | -4.3025 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.539 |
| InChI Key: | YAMFEYMKJBMIHE-UHFFFAOYSA-N |