3-(3-nitrophenyl)-1-[4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl]prop-2-en-1-one
Chemical Structure Depiction of
3-(3-nitrophenyl)-1-[4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl]prop-2-en-1-one
3-(3-nitrophenyl)-1-[4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl]prop-2-en-1-one
Compound characteristics
| Compound ID: | 8005-2953 |
| Compound Name: | 3-(3-nitrophenyl)-1-[4-(4,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)phenyl]prop-2-en-1-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CC1=CC(C)(C)NC(N1c1ccc(cc1)C(/C=C/c1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6268 |
| logD: | 4.6268 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.208 |
| InChI Key: | RJEGBVIVRBASCU-UHFFFAOYSA-N |