4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 3681-1159 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6085 |
| logD: | 3.1829 |
| logSw: | -3.8517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.3 |
| InChI Key: | TYTQUFRXZVEJIF-UHFFFAOYSA-N |