ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1108 |
| Compound Name: | ethyl 2-{2-[(5-{[(furan-2-carbonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C24 H29 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccco2)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3317 |
| logD: | 1.03 |
| logSw: | -3.7082 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.453 |
| InChI Key: | OKLUAJAWRPHINR-AWEZNQCLSA-N |