4-[({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)methyl]benzoic acid
Chemical Structure Depiction of
4-[({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)methyl]benzoic acid
4-[({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 8012-4393 |
| Compound Name: | 4-[({2-[(naphthalen-2-yl)amino]-2-oxoethyl}sulfanyl)methyl]benzoic acid |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C20 H17 N O3 S |
| Smiles: | C(C(Nc1ccc2ccccc2c1)=O)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6846 |
| logD: | 1.7131 |
| logSw: | -5.3983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.253 |
| InChI Key: | AUZMQKUPDGURMS-UHFFFAOYSA-N |