N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide
Compound characteristics
| Compound ID: | P505-2085 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phenyl-1,4-dihydrocinnoline-3-carboxamide |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C23 H17 N3 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1C(c2ccccc2N(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5852 |
| logD: | 3.5852 |
| logSw: | -4.0088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.939 |
| InChI Key: | JFXWWOZOEMCVRK-UHFFFAOYSA-N |