methyl 4-[(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
methyl 4-[(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | D243-0189 |
| Compound Name: | methyl 4-[(4-oxo-6-phenylthieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | COC(c1ccc(CN2C(c3cc(c4ccccc4)sc3N=N2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.545 |
| logD: | 4.545 |
| logSw: | -4.446 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.737 |
| InChI Key: | CLDURILLHZTOIG-UHFFFAOYSA-N |