N-(adamantan-1-yl)-N'-{1-[4-(5-chloro-2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(adamantan-1-yl)-N'-{1-[4-(5-chloro-2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
N-(adamantan-1-yl)-N'-{1-[4-(5-chloro-2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | V015-1452 |
| Compound Name: | N-(adamantan-1-yl)-N'-{1-[4-(5-chloro-2-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}urea |
| Molecular Weight: | 550.17 |
| Molecular Formula: | C30 H36 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CC(c1nnc(n1c1cc(ccc1C)[Cl])SCc1ccccc1C)NC(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3916 |
| logD: | 7.3915 |
| logSw: | -6.2992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.489 |
| InChI Key: | MCBJNYVHYQGNLV-PWHYTNLZSA-N |