ethyl 2-(3-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3270-1075 |
| Compound Name: | ethyl 2-(3-{[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 679.86 |
| Molecular Formula: | C38 H37 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1n1c(C)cc(/C=C2/C(N3C(C(=C(C)N=C3S2)C(C)=O)c2c(ccc3ccccc23)OC)=O)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1417 |
| logD: | 7.1417 |
| logSw: | -6.7554 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.587 |
| InChI Key: | BYSXWVJIVSUMBX-UUWRZZSWSA-N |