methyl 2-[(1,2,3-thiadiazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1,2,3-thiadiazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1,2,3-thiadiazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D319-0006 |
| Compound Name: | methyl 2-[(1,2,3-thiadiazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C13 H13 N3 O3 S2 |
| Smiles: | [H]N(C(c1csnn1)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5333 |
| logD: | -1.0096 |
| logSw: | -2.7735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.824 |
| InChI Key: | MAJYIPSYOBUICI-UHFFFAOYSA-N |