1-(4-methoxyphenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-methoxyphenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-methoxyphenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0083 |
| Compound Name: | 1-(4-methoxyphenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | Cc1cc(ccc1c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2974 |
| logD: | 3.9113 |
| logSw: | -4.4982 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.723 |
| InChI Key: | NOTNTTHVNJPNMO-UHFFFAOYSA-N |