methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C710-0101 |
| Compound Name: | methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | COC(c1c2CCCCc2sc1N1C(Nc2ccccc2N1O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2408 |
| logD: | 3.1018 |
| logSw: | -3.7375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.778 |
| InChI Key: | DXABJRIPOKUWPI-UHFFFAOYSA-N |