methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methylthiophene-3-carboxylate
methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C710-0119 |
| Compound Name: | methyl 5-(diethylcarbamoyl)-2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | CCN(CC)C(c1c(C)c(C(=O)OC)c(N2C(Nc3ccccc3N2O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3856 |
| logD: | 2.2466 |
| logSw: | -2.6985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.79 |
| InChI Key: | ALXQUKKSIOYERR-UHFFFAOYSA-N |