3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Chemical Structure Depiction of
3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3681-1157 |
| Compound Name: | 3-[(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)Oc1cccc(C=C2C(NC(NC2=O)=S)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3901 |
| logD: | 2.9645 |
| logSw: | -3.7567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.004 |
| InChI Key: | VWLVMNQDLQAWDB-UHFFFAOYSA-N |