ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4570-0041 |
| Compound Name: | ethyl 4-methyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C23 H24 N6 O3 S2 |
| Smiles: | CCC(C(Nc1nc(C)c(C(=O)OCC)s1)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1706 |
| logD: | 5.061 |
| logSw: | -5.1544 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.696 |
| InChI Key: | MNKTZTXSGHHQFX-INIZCTEOSA-N |