4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-3997 |
| Compound Name: | 4-({[(4-bromophenyl)methyl][(3-methylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 469.4 |
| Molecular Formula: | C23 H21 Br N2 O2 S |
| Smiles: | Cc1cccc(c1)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.1453 |
| logD: | 3.1738 |
| logSw: | -5.265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.836 |
| InChI Key: | YIYSDQGAXIXXLW-UHFFFAOYSA-N |