N-(3-bromophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-bromophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
N-(3-bromophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | V015-1494 |
| Compound Name: | N-(3-bromophenyl)-N'-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea |
| Molecular Weight: | 536.49 |
| Molecular Formula: | C26 H26 Br N5 O S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1ccc(C)cc1)SCc1ccccc1C)NC(Nc1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8257 |
| logD: | 6.8257 |
| logSw: | -5.5389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.772 |
| InChI Key: | KXPHHLIOBBQNHM-IBGZPJMESA-N |