6-acetyl-5-(4-methoxyphenyl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-5-(4-methoxyphenyl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-5-(4-methoxyphenyl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 8009-2350 |
| Compound Name: | 6-acetyl-5-(4-methoxyphenyl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 515.54 |
| Molecular Formula: | C27 H21 N3 O6 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1ccc(c3ccc(cc3)[N+]([O-])=O)o1)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0923 |
| logD: | 5.0923 |
| logSw: | -4.9483 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.315 |
| InChI Key: | XAPJNYQIFBFLQM-RUZDIDTESA-N |