2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4673-0399 |
| Compound Name: | 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C14 H12 N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/C1C(NC(NC1=O)=S)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.1974 |
| logD: | -2.3405 |
| logSw: | -2.1941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.796 |
| InChI Key: | SDHALMBSHBDFHX-UHFFFAOYSA-N |