4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline
Chemical Structure Depiction of
4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline
4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline
Compound characteristics
| Compound ID: | V011-1284 |
| Compound Name: | 4-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline |
| Molecular Weight: | 623.57 |
| Molecular Formula: | C33 H27 Br N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOc1ccccc1c1cc(c2ccc(cc2n1)Oc1ccccc1)c1nnc(n1C)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 8.7257 |
| logD: | 8.7248 |
| logSw: | -6.0143 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.068 |
| InChI Key: | SZTOKENWUHQZNG-UHFFFAOYSA-N |