4-[5-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
4-[5-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 3618-0418 |
| Compound Name: | 4-[5-({2-[(naphthalen-1-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | C(C(Nc1cccc2ccccc12)=O)Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3125 |
| logD: | 0.4263 |
| logSw: | -3.4196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.477 |
| InChI Key: | BGBBCYVLQZHMML-UHFFFAOYSA-N |