{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M400-0403 |
| Compound Name: | {4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | Cc1c(CN2CCOc3ccc(cc3C2)C(N2CCCC2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.1528 |
| logD: | 1.0961 |
| logSw: | -2.605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.968 |
| InChI Key: | XTOSTUVGWPPIAW-UHFFFAOYSA-N |