2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V015-5442 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1278 |
| logD: | 2.1278 |
| logSw: | -2.3814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.064 |
| InChI Key: | HTYNKCMKRJPVFO-UHFFFAOYSA-N |