2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one
Chemical Structure Depiction of
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y042-5454 |
| Compound Name: | 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-one |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | C1COc2ccc(CC(N3CCc4c(C3)c3ccccc3[nH]4)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3294 |
| logD: | 2.3294 |
| logSw: | -3.0868 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.025 |
| InChI Key: | BVWRBVJVXVAYML-UHFFFAOYSA-N |