diethyl 5-{2-[(4-butyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(4-butyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(4-butyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1086 |
| Compound Name: | diethyl 5-{2-[(4-butyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 607.77 |
| Molecular Formula: | C26 H33 N5 O6 S3 |
| Smiles: | CCCCn1c(CNC(c2cccs2)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4723 |
| logD: | 2.3481 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.563 |
| InChI Key: | QPCMVPUZISUFCM-INIZCTEOSA-N |