methyl 4-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
methyl 4-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6197-5949 |
| Compound Name: | methyl 4-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)methyl]benzoate |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | COC(c1ccc(CN2C(c3c4CCCCc4sc3N=N2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0468 |
| logD: | 4.0468 |
| logSw: | -4.3854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.929 |
| InChI Key: | OABXOQHCMYJFSJ-UHFFFAOYSA-N |