methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-4168 |
| Compound Name: | methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-ethyl-5-(3-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C26 H24 F N3 O5 S |
| Smiles: | CCC1=C(C(c2cccc(c2)F)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0633 |
| logD: | 4.0618 |
| logSw: | -4.1774 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.753 |
| InChI Key: | HLAHJGIZMJQIOQ-XMMPIXPASA-N |