ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0965 |
| Compound Name: | ethyl 2-{2-[(4-butyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 613.8 |
| Molecular Formula: | C30 H39 N5 O5 S2 |
| Smiles: | CCCCn1c(CNC(Cc2ccc(cc2)OC)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0371 |
| logD: | 2.7354 |
| logSw: | -4.6083 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.042 |
| InChI Key: | CSLIOTQYNBSUMX-IBGZPJMESA-N |