3-(8-bromo-1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
3-(8-bromo-1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoic acid
3-(8-bromo-1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 3976-0233 |
| Compound Name: | 3-(8-bromo-1H-naphtho[1,2-e][1,3]oxazin-2(3H)-yl)benzoic acid |
| Molecular Weight: | 384.23 |
| Molecular Formula: | C19 H14 Br N O3 |
| Smiles: | C1c2c(ccc3cc(ccc23)[Br])OCN1c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4162 |
| logD: | 2.7353 |
| logSw: | -6.1701 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.679 |
| InChI Key: | TXWJTQQVZSMAIR-UHFFFAOYSA-N |