7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C201-0061 |
| Compound Name: | 7-chloro-1-(3-fluoro-4-methylphenyl)-2-(thiophen-2-yl)-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 442.96 |
| Molecular Formula: | C22 H16 Cl F N2 O S2 |
| Smiles: | Cc1ccc(cc1F)N1C(c2cccs2)NC(C2Cc3cc(ccc3OC1=2)[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4509 |
| logD: | 6.4507 |
| logSw: | -6.4024 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.7141 |
| InChI Key: | JMLKJGVDVTWQRF-HXUWFJFHSA-N |