methyl 2-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-3663 |
| Compound Name: | methyl 2-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 504.51 |
| Molecular Formula: | C23 H22 F2 N4 O5 S |
| Smiles: | CC1=C(C(c2cnn(C)c2C)N2C(=N1)SC(=C\c1ccc(c(c1)OC)OC(F)F)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2615 |
| logD: | 2.2614 |
| logSw: | -2.7708 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.976 |
| InChI Key: | WITNZCICPIELLT-LJQANCHMSA-N |