5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3288-0560 |
| Compound Name: | 5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cc(C)n(C3CCCCC3)c2C)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.756 |
| logD: | 4.6502 |
| logSw: | -4.4601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.726 |
| InChI Key: | OABKDYLLAMSCTE-UHFFFAOYSA-N |