4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate
Chemical Structure Depiction of
4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate
4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate
Compound characteristics
| Compound ID: | 2368-1143 |
| Compound Name: | 4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.918 |
| logD: | 2.8122 |
| logSw: | -3.548 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.644 |
| InChI Key: | KTCHYVIBOHSNBC-UHFFFAOYSA-N |