ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5867-4004 |
| Compound Name: | ethyl 2-{2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc2c(C)cc3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5443 |
| logD: | 3.5196 |
| logSw: | -5.988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.577 |
| InChI Key: | XXNPATPGWVXCCZ-UHFFFAOYSA-N |