ethyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9351 |
| Compound Name: | ethyl 2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0987 |
| logD: | 3.6021 |
| logSw: | -5.7337 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.788 |
| InChI Key: | QSDOVWRZFORXQZ-IBGZPJMESA-N |