2-[(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 2897-1408 |
| Compound Name: | 2-[(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccccc2C#N)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.529 |
| logD: | 3.1539 |
| logSw: | -3.8953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.773 |
| InChI Key: | IKALRPHKCHKFQJ-UHFFFAOYSA-N |