4-(3-{[5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
4-(3-{[5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
Compound ID: | 3184-1266 |
Compound Name: | 4-(3-{[5-(2,7-dimethoxynaphthalen-1-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
Molecular Weight: | 651.74 |
Molecular Formula: | C36 H33 N3 O7 S |
Smiles: | CCOC(C1C(c2c(ccc3ccc(cc23)OC)OC)N2C(=NC=1C)SC(=C/c1cc(C)n(c3ccc(cc3)C(O)=O)c1C)\C2=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4759 |
logD: | 3.5897 |
logSw: | -5.9921 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.723 |
InChI Key: | LFWYATFUIDFYCM-JGCGQSQUSA-N |