N-[(3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0503 |
| Compound Name: | N-[(3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C21 H23 N O4 |
| Smiles: | Cc1cc2c(cc1C(NCc1ccc3c(CCCO3)c1)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3702 |
| logD: | 3.3702 |
| logSw: | -3.415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.678 |
| InChI Key: | FXUYZZCFJXMCRL-UHFFFAOYSA-N |