N-[3-bromo-4-(morpholin-4-yl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[3-bromo-4-(morpholin-4-yl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[3-bromo-4-(morpholin-4-yl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0616 |
| Compound Name: | N-[3-bromo-4-(morpholin-4-yl)phenyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 463.33 |
| Molecular Formula: | C21 H23 Br N2 O5 |
| Smiles: | COc1cc2c(cc1C(Nc1ccc(c(c1)[Br])N1CCOCC1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2573 |
| logD: | 3.2396 |
| logSw: | -3.6284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.174 |
| InChI Key: | JCCWJUFGXFCXCI-UHFFFAOYSA-N |