4-[5-({2-[(2-methyl-2H-tetrazol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-({2-[(2-methyl-2H-tetrazol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
4-[5-({2-[(2-methyl-2H-tetrazol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 6929-0043 |
| Compound Name: | 4-[5-({2-[(2-methyl-2H-tetrazol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid |
| Molecular Weight: | 361.34 |
| Molecular Formula: | C12 H11 N9 O3 S |
| Smiles: | Cn1nc(NC(CSc2nnnn2c2ccc(cc2)C(O)=O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.303 |
| logD: | -2.5832 |
| logSw: | -2.1198 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.989 |
| InChI Key: | WOXUJKITSSKSJY-UHFFFAOYSA-N |