6-acetyl-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
6-acetyl-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
6-acetyl-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | 3270-1074 |
| Compound Name: | 6-acetyl-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 561.7 |
| Molecular Formula: | C34 H31 N3 O3 S |
| Smiles: | CC1=C(C(c2c(ccc3ccccc23)OC)N2C(=N1)SC(=C/c1cc(C)n(c3ccc(C)cc3)c1C)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2588 |
| logD: | 6.2588 |
| logSw: | -6.7833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.844 |
| InChI Key: | SOAOWCGCXOCKSR-JGCGQSQUSA-N |