7-bromo-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-1-benzopyran-2-carboxamide
7-bromo-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D492-0056 |
| Compound Name: | 7-bromo-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 430.28 |
| Molecular Formula: | C18 H12 Br N3 O3 S |
| Smiles: | [H]N(C(C1=CC(c2ccc(cc2O1)[Br])=O)=O)c1ccnn1Cc1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.8522 |
| logD: | 3.8515 |
| logSw: | -4.1309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.599 |
| InChI Key: | WTXWWESQYDPPRV-UHFFFAOYSA-N |