1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-9028 |
| Compound Name: | 1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 589.09 |
| Molecular Formula: | C29 H21 Cl N4 O4 S2 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Cl])=S)=O)c(C)n1c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.375 |
| logD: | 5.8436 |
| logSw: | -6.1991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.003 |
| InChI Key: | MMAFMRAYDBRNAC-UHFFFAOYSA-N |