ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2437 |
| Compound Name: | ethyl 2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 609.7 |
| Molecular Formula: | C33 H31 N5 O5 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1c1ccccc1)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1083 |
| logD: | 5.4215 |
| logSw: | -5.5231 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.987 |
| InChI Key: | WHUHDDNONXURHW-SSEXGKCCSA-N |