1-(4-chlorophenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-chlorophenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1772 |
| Compound Name: | 1-(4-chlorophenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 605.07 |
| Molecular Formula: | C33 H21 Cl N4 O4 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Cl])=S)=O)/c1cc(c2ccccc2)n(c2ccc(cc2)[N+]([O-])=O)c1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1376 |
| logD: | 6.7951 |
| logSw: | -6.6225 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.79 |
| InChI Key: | MLWMTRKVPGADCV-UHFFFAOYSA-N |