1,7-dimethyl-5-nitro-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
1,7-dimethyl-5-nitro-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
1,7-dimethyl-5-nitro-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 4896-0756 |
| Compound Name: | 1,7-dimethyl-5-nitro-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C13 H10 N4 O4 S |
| Smiles: | Cc1cc(cc2\C(=C3/C(NC(N3)=S)=O)C(N(C)c12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1903 |
| logD: | 0.9885 |
| logSw: | -2.5377 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.759 |
| InChI Key: | WVYUKQPHGIVRSJ-UHFFFAOYSA-N |