3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 1564-0063 |
Compound Name: | 3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-(diethylamino)-2H-1-benzopyran-2-one |
Molecular Weight: | 440.29 |
Molecular Formula: | C21 H18 Br N3 O3 |
Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(c2ccccc2[Br])o1 |
Stereo: | ACHIRAL |
logP: | 4.186 |
logD: | 4.186 |
logSw: | -4.4074 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.14 |
InChI Key: | PYBTTXHOTGNTEH-UHFFFAOYSA-N |