2-({4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Chemical Structure Depiction of
2-({4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzonitrile
2-({4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | 3679-2165 |
| Compound Name: | 2-({4-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzonitrile |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C21 H17 N3 O3 S |
| Smiles: | CN1C(C(=Cc2ccc(cc2)OCc2ccccc2C#N)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1672 |
| logD: | 2.1672 |
| logSw: | -2.8153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.102 |
| InChI Key: | NPGJZJQWYSTHOQ-UHFFFAOYSA-N |