4-(3-{[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
Chemical Structure Depiction of
4-(3-{[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
4-(3-{[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate
Compound characteristics
| Compound ID: | 2368-1128 |
| Compound Name: | 4-(3-{[1-(3,4-dimethylphenyl)-4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenyl acetate |
| Molecular Weight: | 563.68 |
| Molecular Formula: | C33 H29 N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)n1c(C)cc(/C=C2/C(N(C(N(C2=O)c2ccc(C)c(C)c2)=S)c2ccccc2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.1842 |
| logD: | 5.1842 |
| logSw: | -5.1087 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.937 |
| InChI Key: | ZHYGTHYGQNAJNX-UHFFFAOYSA-N |