4-{3-[(4,6-dioxo-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-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate
4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate
Compound characteristics
| Compound ID: | 2368-1124 |
| Compound Name: | 4-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenyl acetate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)n1c(C)cc(C=C2C(NC(NC2=O)=S)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.2011 |
| logD: | 2.0757 |
| logSw: | -2.9519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.042 |
| InChI Key: | GRNVGUIBZNPEHK-UHFFFAOYSA-N |