methyl 2-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 2-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C860-0782 |
| Compound Name: | methyl 2-{[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C24 H21 F N4 O3 S |
| Smiles: | COC(c1ccccc1NC(C1CCN(CC1)c1c2c(c3c(cccc3s2)F)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8837 |
| logD: | 4.7785 |
| logSw: | -4.7443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.233 |
| InChI Key: | MEZYSBFLFFCDFF-UHFFFAOYSA-N |