3-[(5-bromopyridin-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Chemical Structure Depiction of
3-[(5-bromopyridin-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
3-[(5-bromopyridin-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Compound characteristics
| Compound ID: | 8017-7349 |
| Compound Name: | 3-[(5-bromopyridin-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one |
| Molecular Weight: | 355.12 |
| Molecular Formula: | C13 H12 Br N2 O3 P |
| Smiles: | C1Oc2ccccc2OCP1(Nc1ccc(cn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9155 |
| logD: | 2.9155 |
| logSw: | -3.0614 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.113 |
| InChI Key: | IJAWGDFBQNBAFK-UHFFFAOYSA-N |