methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-phenylthiophene-3-carboxylate
methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C710-0100 |
| Compound Name: | methyl 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | COC(c1c(csc1N1C(Nc2ccccc2N1O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6628 |
| logD: | 3.5238 |
| logSw: | -4.1752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.586 |
| InChI Key: | JXGFRGUOWBAYAC-UHFFFAOYSA-N |