ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
Chemical Structure Depiction of
ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
Compound characteristics
| Compound ID: | 8007-4278 |
| Compound Name: | ethyl 6-oxo-6-[2-oxo-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C24 H26 N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4ccccc4n3CC=C)nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1328 |
| logD: | -0.1358 |
| logSw: | -3.2964 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.229 |
| InChI Key: | JFALAINVINKKTI-UHFFFAOYSA-N |