2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]acetamide
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8019-5708 |
| Compound Name: | 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCn1c(c2ccc(cc2)OC)nnc1SCC(NCc1ccc2c(c1)N(C)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8132 |
| logD: | 2.8132 |
| logSw: | -3.4021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.847 |
| InChI Key: | CTAAKYHICYUWJG-UHFFFAOYSA-N |