2-(4-butoxyphenyl)-4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1046 |
| Compound Name: | 2-(4-butoxyphenyl)-4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccc3c(c2)OCCO3)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3263 |
| logD: | 3.3256 |
| logSw: | -3.6198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.217 |
| InChI Key: | GSCLHRQKNBUXQD-UHFFFAOYSA-N |