ethyl 4-(3-{[3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
ethyl 4-(3-{[3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3270-1023 |
| Compound Name: | ethyl 4-(3-{[3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C31 H33 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(/C=C2/C(N(C3CCCCC3)\C(=N/c3ccccc3)S2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0181 |
| logD: | 7.0181 |
| logSw: | -5.5569 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.504 |
| InChI Key: | KJCLEZXCNLPGIN-UHFFFAOYSA-N |