4-({[(3-bromophenyl)methyl][(5-chloro-2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl][(5-chloro-2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-bromophenyl)methyl][(5-chloro-2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4738 |
| Compound Name: | 4-({[(3-bromophenyl)methyl][(5-chloro-2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 525.89 |
| Molecular Formula: | C23 H26 Br Cl N2 O3 S |
| Smiles: | COc1ccc(cc1NC(N(CC1CCC(CC1)C(O)=O)Cc1cccc(c1)[Br])=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8415 |
| logD: | 3.2812 |
| logSw: | -5.7145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.961 |
| InChI Key: | LSQGKWMMITWTJL-UHFFFAOYSA-N |