ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]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-{[2-(4-methoxyphenyl)acetamido]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-{[2-(4-methoxyphenyl)acetamido]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: | K403-0952 |
| Compound Name: | ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]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: | 585.74 |
| Molecular Formula: | C28 H35 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C(C)Sc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0429 |
| logD: | 1.7412 |
| logSw: | -4.2555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.205 |
| InChI Key: | LZERLHJEOYRDGR-KRWDZBQOSA-N |