methyl 3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)thiophene-2-carboxylate
methyl 3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C710-0069 |
| Compound Name: | methyl 3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)thiophene-2-carboxylate |
| Molecular Weight: | 305.31 |
| Molecular Formula: | C13 H11 N3 O4 S |
| Smiles: | COC(c1c(ccs1)N1C(Nc2ccccc2N1O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0822 |
| logD: | 2.0373 |
| logSw: | -2.6654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.506 |
| InChI Key: | YXHFEXCQGURDRN-UHFFFAOYSA-N |