3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0283 |
| Compound Name: | 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | COc1ccc(C(CN2C(c3c4CCCCc4sc3N=N2)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6358 |
| logD: | 3.6358 |
| logSw: | -4.3236 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.177 |
| InChI Key: | SMCZRKBWAHIYIN-UHFFFAOYSA-N |