6-bromo-2-{4-[(pyridin-4-yl)methyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-bromo-2-{4-[(pyridin-4-yl)methyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
6-bromo-2-{4-[(pyridin-4-yl)methyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D653-0110 |
| Compound Name: | 6-bromo-2-{4-[(pyridin-4-yl)methyl]piperazine-1-carbonyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 428.28 |
| Molecular Formula: | C20 H18 Br N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccncc1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2752 |
| logD: | 2.2507 |
| logSw: | -2.8592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.674 |
| InChI Key: | IQTQSWXISFAZQM-UHFFFAOYSA-N |