prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9894 |
| Compound Name: | prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | CC1=C(C(c2cccc(C)c2)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4922 |
| logD: | 4.4921 |
| logSw: | -4.4338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | FTAUSNDSQLUCRF-AREMUKBSSA-N |