methyl 4-{[5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
methyl 4-{[5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | 4074-0901 |
| Compound Name: | methyl 4-{[5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | Cc1cc(/C=C2/C(N(C)\C(=N/c3ccc(cc3)C(=O)OC)S2)=O)c(C)n1c1ccc(cc1)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.8917 |
| logD: | 4.889 |
| logSw: | -4.7245 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.545 |
| InChI Key: | CSOQHJDFKDKUQQ-UHFFFAOYSA-N |