(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 4299-0203 |
| Compound Name: | (4-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 410.34 |
| Molecular Formula: | C20 H14 N2 O8 |
| Smiles: | C(C(O)=O)Oc1ccc(/C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6349 |
| logD: | -2.6021 |
| logSw: | -2.1412 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.389 |
| InChI Key: | RTHMLNZCPJOROH-UHFFFAOYSA-N |