5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0055 |
| Compound Name: | 5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2cc(C)n(c3ccc(cc3)N(C)C)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2017 |
| logD: | 4.1432 |
| logSw: | -4.2779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.821 |
| InChI Key: | QMFUTZQADJFLAD-UHFFFAOYSA-N |