prop-2-en-1-yl 5-(2,3-dimethoxyphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 5-(2,3-dimethoxyphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-(2,3-dimethoxyphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V025-8015 |
| Compound Name: | prop-2-en-1-yl 5-(2,3-dimethoxyphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C28 H28 F N3 O5 S |
| Smiles: | CC1=C(C(c2cccc(c2OC)OC)N2C(CC(NCc3ccc(cc3)F)=O)=CSC2=N1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9367 |
| logD: | 3.9366 |
| logSw: | -4.1596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.252 |
| InChI Key: | BYFCMVUOPAIXME-RUZDIDTESA-N |