4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]-1,3-phenylene diacetate
4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | 8009-6735 |
| Compound Name: | 4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | CC(=O)Oc1ccc(c(c1)OC(C)=O)C1(CC(c2ccccc2)NC(N1)=S)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3391 |
| logD: | 4.3391 |
| logSw: | -4.4236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.571 |
| InChI Key: | AGUXLENKMNJEQJ-UHFFFAOYSA-N |