(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Chemical Structure Depiction of
(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
Compound characteristics
| Compound ID: | 4758-2316 |
| Compound Name: | (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid |
| Molecular Weight: | 433.38 |
| Molecular Formula: | C22 H15 N3 O7 |
| Smiles: | C(C(O)=O)n1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 0.7593 |
| logD: | -3.2224 |
| logSw: | -2.2446 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.894 |
| InChI Key: | KSNIQYHXSOJHPS-UHFFFAOYSA-N |