2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3681-1158 |
| Compound Name: | 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C19 H14 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccccc1C=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.411 |
| logD: | 3.1494 |
| logSw: | -3.8306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.09 |
| InChI Key: | FGHBNAGMOVJZCP-UHFFFAOYSA-N |