8-methoxy-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1956 |
| Compound Name: | 8-methoxy-N-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C20 H23 N O4 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.098 |
| logD: | 4.0978 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | QNNLPYSIWDQCIN-UHFFFAOYSA-N |