4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 3681-1149 |
| Compound Name: | 4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl 4-chlorobenzoate |
| Molecular Weight: | 386.81 |
| Molecular Formula: | C18 H11 Cl N2 O4 S |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(cc1)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6727 |
| logD: | 3.2472 |
| logSw: | -4.596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.004 |
| InChI Key: | HTCHVNSWFKKKPS-UHFFFAOYSA-N |