2-(4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide
Chemical Structure Depiction of
2-(4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide
2-(4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide
Compound characteristics
| Compound ID: | 4058-0091 |
| Compound Name: | 2-(4-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2ccc(cc2)OCC(N)=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2581 |
| logD: | 0.883 |
| logSw: | -2.2703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.659 |
| InChI Key: | QLGHFIUDSTXBIP-UHFFFAOYSA-N |