ethyl 3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate
Chemical Structure Depiction of
ethyl 3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate
ethyl 3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate
Compound characteristics
| Compound ID: | 8015-9713 |
| Compound Name: | ethyl 3-amino-2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}but-2-enoate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCOC(C(=C(/C)N)\C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6534 |
| logD: | 3.6425 |
| logSw: | -3.8563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.511 |
| InChI Key: | MEVLAWCYBSNLIS-UHFFFAOYSA-N |