4-({[(3-methoxypropyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3-methoxypropyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(3-methoxypropyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y501-5631 |
| Compound Name: | 4-({[(3-methoxypropyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 282.36 |
| Molecular Formula: | C13 H18 N2 O3 S |
| Smiles: | COCCCNC(NCc1ccc(cc1)C(O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.3825 |
| logD: | -1.589 |
| logSw: | -1.8806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.569 |
| InChI Key: | PRZZHCMVJCUXGK-UHFFFAOYSA-N |