ethyl 5-(4-chlorophenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-chlorophenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-chlorophenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2438 |
| Compound Name: | ethyl 5-(4-chlorophenyl)-7-methyl-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 582.08 |
| Molecular Formula: | C28 H28 Cl N5 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0511 |
| logD: | 4.3643 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.757 |
| InChI Key: | YDBKMSICAJUUMT-VWLOTQADSA-N |