3-[2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
Compound characteristics
| Compound ID: | D243-0542 |
| Compound Name: | 3-[2-(3-methoxyphenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | COc1cccc(c1)C(CN1C(c2c3CCCCc3sc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7316 |
| logD: | 3.7316 |
| logSw: | -4.3461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.546 |
| InChI Key: | VVVYQVCTADIXIR-UHFFFAOYSA-N |