2-{[(3-bromophenyl)methyl]sulfanyl}-3-{3-[(propan-2-yl)oxy]propyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-3-{3-[(propan-2-yl)oxy]propyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[(3-bromophenyl)methyl]sulfanyl}-3-{3-[(propan-2-yl)oxy]propyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0519 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-3-{3-[(propan-2-yl)oxy]propyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 503.48 |
| Molecular Formula: | C23 H23 Br N2 O2 S2 |
| Smiles: | CC(C)OCCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.917 |
| logD: | 5.917 |
| logSw: | -5.615 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.717 |
| InChI Key: | AFHFMTMNCBYFPJ-UHFFFAOYSA-N |