1-(3,4-dimethylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,4-dimethylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2368-1755 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 674.78 |
| Molecular Formula: | C41 H30 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C/c2cc(c3ccccc3)n(c3ccc(cc3)[N+]([O-])=O)c2c2ccccc2)\C(N(C1=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.6875 |
| logD: | 8.6875 |
| logSw: | -5.7191 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.083 |
| InChI Key: | KAKZLJSQHRPMQN-UHFFFAOYSA-N |