4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate
Chemical Structure Depiction of
4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate
4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate
Compound characteristics
| Compound ID: | 2368-1146 |
| Compound Name: | 4-(2,5-dimethyl-3-{[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.463 |
| logD: | 3.3572 |
| logSw: | -3.8768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.644 |
| InChI Key: | GEWXQBAIYRXULQ-UHFFFAOYSA-N |