4-[([(3-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[([(3-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
4-[([(3-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4741 |
| Compound Name: | 4-[([(3-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 507.51 |
| Molecular Formula: | C23 H27 Br N2 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N(CC1CCC(CC1)C(O)=O)Cc1cccc(c1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.7059 |
| logD: | 3.1456 |
| logSw: | -5.2991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | DJVFBILZKVHOGN-UHFFFAOYSA-N |