methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethylthiophene-3-carboxylate
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C710-0099 |
| Compound Name: | methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C15 H15 N3 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(N2C(Nc3ccccc3N2O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.7832 |
| logD: | 2.6441 |
| logSw: | -3.3466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.858 |
| InChI Key: | PPYRAKLBPWFDLU-UHFFFAOYSA-N |