ethyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D419-0065 |
| Compound Name: | ethyl 2-{2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C23 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(c3ccccc3)n2c2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6804 |
| logD: | 4.6459 |
| logSw: | -4.2988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.239 |
| InChI Key: | IIUFFXKNZAYCPD-UHFFFAOYSA-N |