4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-7527 |
| Compound Name: | 4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C14 H17 N5 O3 S |
| Smiles: | CC(C)(C)NC(CSc1nnnn1c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1538 |
| logD: | -0.7323 |
| logSw: | -2.6653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.864 |
| InChI Key: | IPUBATLPLYJJEA-UHFFFAOYSA-N |