[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S555-2100 |
| Compound Name: | [7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | Cc1c(C(N2CCOc3ccc(cc3C2)N(C)C)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5202 |
| logD: | 1.5138 |
| logSw: | -2.101 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.475 |
| InChI Key: | KVPGGJSVWQBKCJ-UHFFFAOYSA-N |