(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Chemical Structure Depiction of
(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
(2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Compound characteristics
| Compound ID: | 2897-1612 |
| Compound Name: | (2-methoxy-4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCC#N)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8591 |
| logD: | 1.4841 |
| logSw: | -2.692 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.399 |
| InChI Key: | DXLXOBUIZQUZSW-UHFFFAOYSA-N |