N-[3-bromo-4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[3-bromo-4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[3-bromo-4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0453 |
| Compound Name: | N-[3-bromo-4-(morpholin-4-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C20 H21 Br N2 O4 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccc(c(c1)[Br])N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0493 |
| logD: | 3.0483 |
| logSw: | -3.4598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.544 |
| InChI Key: | FRHOTEHIOKJULZ-UHFFFAOYSA-N |