N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8018-4817 |
| Compound Name: | N-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C21 H16 Cl N3 O3 |
| Smiles: | C(c1ccc(Cn2cc(cn2)[Cl])cc1)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7164 |
| logD: | 2.716 |
| logSw: | -3.589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.079 |
| InChI Key: | VMYGKGKRERQAAD-UHFFFAOYSA-N |