N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | 3909-8058 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H17 F N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c1c(Nc3cc(cc(c3)Sc3ccc(cc3)F)[N+]([O-])=O)ncnc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.9675 |
| logD: | 6.9669 |
| logSw: | -6.5312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.736 |
| InChI Key: | DMQWRZLYLGGJGH-UHFFFAOYSA-N |