methyl 3-(2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8016-1967 |
| Compound Name: | methyl 3-(2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C16 H13 N5 O5 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSc1nnnn1c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2644 |
| logD: | 2.2393 |
| logSw: | -2.9831 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.648 |
| InChI Key: | PSYJGUWNWOWKQB-UHFFFAOYSA-N |