4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 3681-1151 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenyl 4-chlorobenzoate |
| Molecular Weight: | 430.86 |
| Molecular Formula: | C20 H15 Cl N2 O5 S |
| Smiles: | CCOc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7798 |
| logD: | 3.3542 |
| logSw: | -4.7016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.3 |
| InChI Key: | SHEUQOSHZYTUPV-UHFFFAOYSA-N |