benzyl 3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V022-8575 |
| Compound Name: | benzyl 3-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 582.72 |
| Molecular Formula: | C33 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)Oc2ccccc2)N2C(CC(NCCN(C)C)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9302 |
| logD: | 3.3163 |
| logSw: | -4.9448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.441 |
| InChI Key: | LQZNVGXSPGQKRA-WJOKGBTCSA-N |