ethyl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)benzoate
ethyl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)benzoate
Compound characteristics
| Compound ID: | 7151-0036 |
| Compound Name: | ethyl 4-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butanamido)benzoate |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1nc2c(c3ccccc3n2CC=C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4741 |
| logD: | 5.4739 |
| logSw: | -5.7228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.073 |
| InChI Key: | KDWLCQBXGFPBOL-FQEVSTJZSA-N |