2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0730 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(3,3-diethoxypropyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 561.52 |
| Molecular Formula: | C25 H25 Br N2 O4 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)[Br])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.4957 |
| logD: | 5.4957 |
| logSw: | -5.6642 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.417 |
| InChI Key: | IEVXXBDQBMUUMQ-UHFFFAOYSA-N |