5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
Compound ID: | 4920-0399 |
Compound Name: | 5-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
Molecular Weight: | 356.4 |
Molecular Formula: | C17 H16 N4 O3 S |
Smiles: | CN1C(N(C)c2cc(\C=C3/C(NC(N(CC=C)C3=O)=S)=O)ccc12)=O |
Stereo: | ACHIRAL |
logP: | 1.4855 |
logD: | 1.4155 |
logSw: | -2.4427 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.774 |
InChI Key: | BWZYZKSTAHVPPI-UHFFFAOYSA-N |