2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | 5471-0067 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C23 H24 N6 O S2 |
| Smiles: | CCC(C(Nc1nc2CCCCc2s1)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7098 |
| logD: | 5.5535 |
| logSw: | -5.6275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.787 |
| InChI Key: | OKNRZYLOUDEUGZ-KRWDZBQOSA-N |