4b-methyl-2,3-dioxo-4a-phenylhexahydro-1,4-diazacyclopropa[cd]pentalene-2a,2b-dicarbonitrile
Chemical Structure Depiction of
4b-methyl-2,3-dioxo-4a-phenylhexahydro-1,4-diazacyclopropa[cd]pentalene-2a,2b-dicarbonitrile
4b-methyl-2,3-dioxo-4a-phenylhexahydro-1,4-diazacyclopropa[cd]pentalene-2a,2b-dicarbonitrile
Compound characteristics
| Compound ID: | 8019-9796 |
| Compound Name: | 4b-methyl-2,3-dioxo-4a-phenylhexahydro-1,4-diazacyclopropa[cd]pentalene-2a,2b-dicarbonitrile |
| Molecular Weight: | 278.27 |
| Molecular Formula: | C15 H10 N4 O2 |
| Smiles: | CC12C3(C#N)C(NC2(c2ccccc2)NC(C13C#N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1569 |
| logD: | 1.1526 |
| logSw: | -1.9091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.881 |
| InChI Key: | BPOGVPGFMYRWLV-UHFFFAOYSA-N |