N-cyclopentyl-4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-cyclopentyl-4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-cyclopentyl-4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | C604-0033 |
| Compound Name: | N-cyclopentyl-4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C27 H27 F N4 O3 S2 |
| Smiles: | C1CCC(C1)NC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3453 |
| logD: | 4.3452 |
| logSw: | -4.2563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.956 |
| InChI Key: | QLSPITZBYDJASS-UHFFFAOYSA-N |