5,5-dimethyl-3-{2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}cyclohex-2-en-1-one
Chemical Structure Depiction of
5,5-dimethyl-3-{2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}cyclohex-2-en-1-one
5,5-dimethyl-3-{2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 0103-0024 |
| Compound Name: | 5,5-dimethyl-3-{2-[4-(1H-triazirin-1-yl)phenyl]ethenyl}cyclohex-2-en-1-one |
| Molecular Weight: | 267.33 |
| Molecular Formula: | C16 H17 N3 O |
| Smiles: | CC1(C)CC(/C=C/c2ccc(cc2)N2N=N2)=CC(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1414 |
| logD: | 3.1414 |
| logSw: | -3.1535 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.773 |
| InChI Key: | DTEMMFZSXNLHHE-UHFFFAOYSA-N |