N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(diethylamino)-2-imino-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(diethylamino)-2-imino-2H-1-benzopyran-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(diethylamino)-2-imino-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-6589 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(diethylamino)-2-imino-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CCN(CC)c1ccc2C=C(C(=N)Oc2c1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1959 |
| logD: | 3.1958 |
| logSw: | -3.5511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.741 |
| InChI Key: | YTWIKEFTHDDDMT-UHFFFAOYSA-N |