N-benzyl-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0238 |
| Compound Name: | N-benzyl-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C26 H26 N2 O4 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)Cc2ccc3c(c2)OCCO3)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9949 |
| logD: | 2.2721 |
| logSw: | -3.2964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.152 |
| InChI Key: | UAOUDYWQHQFIFQ-UHFFFAOYSA-N |