ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4490-2434 |
| Compound Name: | ethyl 5-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 653.71 |
| Molecular Formula: | C34 H31 N5 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N2C(=NC=1c1ccccc1)SC(=C\c1cc(ccc1N1CCN(C)CC1)[N+]([O-])=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0648 |
| logD: | 5.378 |
| logSw: | -5.5659 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 103.102 |
| InChI Key: | GZDRWEXOWGLHGV-WJOKGBTCSA-N |