4-(3-{[6-(methoxycarbonyl)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-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-{[6-(methoxycarbonyl)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
4-(3-{[6-(methoxycarbonyl)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-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: | 8010-9709 |
| Compound Name: | 4-(3-{[6-(methoxycarbonyl)-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C32 H31 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)N=C2N1C(/C(=C/c1cc(C)n(c3ccc(cc3)C(O)=O)c1C)S2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1489 |
| logD: | 3.2627 |
| logSw: | -5.4125 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.241 |
| InChI Key: | QXJGSFHPCWZNOM-MUUNZHRXSA-N |