methyl 4-[7-chloro-1-(3-fluoro-4-methylphenyl)-4-sulfanylidene-1,3,4,5-tetrahydro-2H-[1]benzopyrano[2,3-d]pyrimidin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-chloro-1-(3-fluoro-4-methylphenyl)-4-sulfanylidene-1,3,4,5-tetrahydro-2H-[1]benzopyrano[2,3-d]pyrimidin-2-yl]benzoate
methyl 4-[7-chloro-1-(3-fluoro-4-methylphenyl)-4-sulfanylidene-1,3,4,5-tetrahydro-2H-[1]benzopyrano[2,3-d]pyrimidin-2-yl]benzoate
Compound characteristics
| Compound ID: | C201-0070 |
| Compound Name: | methyl 4-[7-chloro-1-(3-fluoro-4-methylphenyl)-4-sulfanylidene-1,3,4,5-tetrahydro-2H-[1]benzopyrano[2,3-d]pyrimidin-2-yl]benzoate |
| Molecular Weight: | 494.97 |
| Molecular Formula: | C26 H20 Cl F N2 O3 S |
| Smiles: | Cc1ccc(cc1F)N1C(c2ccc(cc2)C(=O)OC)NC(C2Cc3cc(ccc3OC1=2)[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9479 |
| logD: | 6.9466 |
| logSw: | -6.5078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.87 |
| InChI Key: | BPRRSHRSVWFNBB-HSZRJFAPSA-N |