4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene dibenzoate
Chemical Structure Depiction of
4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene dibenzoate
4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene dibenzoate
Compound characteristics
| Compound ID: | 8008-2891 |
| Compound Name: | 4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)-1,3-phenylene dibenzoate |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C33 H30 N2 O4 S |
| Smiles: | CC1(C)CC(C)(c2ccc(cc2OC(c2ccccc2)=O)OC(c2ccccc2)=O)N(C(N1)=S)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6042 |
| logD: | 6.6042 |
| logSw: | -5.7562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.199 |
| InChI Key: | XNDXRKLTOPOLFR-XIFFEERXSA-N |