prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9492 |
| Compound Name: | prop-2-en-1-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)N=C2N1C(CC(NCc1ccc3c(c1)OCO3)=O)=CS2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2923 |
| logD: | 5.2921 |
| logSw: | -5.4299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | JGZJBXBQSLEWJE-MUUNZHRXSA-N |