2-[(4-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
2-[(4-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3270-1099 |
| Compound Name: | 2-[(4-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile |
| Molecular Weight: | 615.71 |
| Molecular Formula: | C36 H29 N3 O5 S |
| Smiles: | CC1=C(C(c2c(ccc3ccccc23)OC)N2C(=N1)SC(=C/c1ccc(c(c1)OC)OCc1ccccc1C#N)\C2=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6441 |
| logD: | 5.6441 |
| logSw: | -6.6126 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.18 |
| InChI Key: | RTNXTDZMSOPJFG-UUWRZZSWSA-N |