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 |