3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-0588 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 416.34 |
| Molecular Formula: | C19 H18 Br N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.182 |
| logD: | 5.182 |
| logSw: | -5.1111 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | CECOLWRZJXJDSO-UHFFFAOYSA-N |