propan-2-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9514 |
| Compound Name: | propan-2-yl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | CC(C)OC(C1C(c2ccccc2C)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.826 |
| logD: | 4.8149 |
| logSw: | -4.6231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.405 |
| InChI Key: | MIKDBLQTLSCRIK-AREMUKBSSA-N |