ethyl 4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 2368-1458 |
| Compound Name: | ethyl 4-{3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)n1c(C)cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0402 |
| logD: | 3.9344 |
| logSw: | -4.0718 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.647 |
| InChI Key: | HXJDVGQCYISXLB-UHFFFAOYSA-N |