methyl 4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate
methyl 4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 8009-0056 |
| Compound Name: | methyl 4-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C19 H14 N2 O4 S |
| Smiles: | COC(c1ccc(\C=C2/C(NC(N(C2=O)c2ccccc2)=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7862 |
| logD: | 2.4112 |
| logSw: | -3.5783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.402 |
| InChI Key: | QLLYWUHDCGFFON-UHFFFAOYSA-N |