2-(3-fluorophenyl)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
2-(3-fluorophenyl)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | T634-0175 |
| Compound Name: | 2-(3-fluorophenyl)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}ethan-1-one |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C22 H25 F N2 O2 |
| Smiles: | C1CCN(C1)Cc1ccc2c(CN(CCO2)C(Cc2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4857 |
| logD: | 1.4242 |
| logSw: | -3.4681 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4021 |
| InChI Key: | QQKHSAFPAQAFRA-UHFFFAOYSA-N |