diethyl 3-methyl-5-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1094 |
| Compound Name: | diethyl 3-methyl-5-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 641.79 |
| Molecular Formula: | C29 H31 N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2cccs2)=O)n1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0225 |
| logD: | 2.9895 |
| logSw: | -4.6744 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.057 |
| InChI Key: | MVWKFNQQWLKPBX-SFHVURJKSA-N |