3-(pyren-1-yl)-1-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
Chemical Structure Depiction of
3-(pyren-1-yl)-1-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
3-(pyren-1-yl)-1-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one
Compound characteristics
| Compound ID: | 0101-0004 |
| Compound Name: | 3-(pyren-1-yl)-1-[4-(1H-triazirin-1-yl)phenyl]prop-2-en-1-one |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C25 H15 N3 O |
| Smiles: | C(=C/c1ccc2ccc3cccc4ccc1c2c34)\C(c1ccc(cc1)N1N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1879 |
| logD: | 6.1879 |
| logSw: | -7.2568 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.664 |
| InChI Key: | XQDBVBUDALAPKR-UHFFFAOYSA-N |