2-[(4-{[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-{[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(4-{[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4482-4108 |
| Compound Name: | 2-[(4-{[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | C=CCN1C(C(=C/c2ccc(cc2)OCc2ccccc2C#N)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1143 |
| logD: | 3.0443 |
| logSw: | -3.6842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.374 |
| InChI Key: | VCAQTPKZYOKPSY-UHFFFAOYSA-N |