6-acetyl-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 3270-1113 |
| Compound Name: | 6-acetyl-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 532.06 |
| Molecular Formula: | C29 H26 Cl N3 O3 S |
| Smiles: | CC1=C(C(c2ccccc2OC)N2C(=N1)SC(=C/c1cc(C)n(c3ccc(cc3)[Cl])c1C)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5181 |
| logD: | 5.5181 |
| logSw: | -5.9478 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.116 |
| InChI Key: | LFDACJULUPQXTB-MHZLTWQESA-N |