3-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0167 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C20 H17 N3 O5 S2 |
| Smiles: | COc1ccc(CCN2C(c3c(c4cc(ccc4s3)[N+]([O-])=O)NC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5823 |
| logD: | 3.5632 |
| logSw: | -3.9098 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.433 |
| InChI Key: | HDROLMPSZHFNDC-UHFFFAOYSA-N |