2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one--hydrogen chloride (1/2)
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 8013-2659 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one--hydrogen chloride (1/2) |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C28 H29 N3 O3 |
| Salt: | 2HCl |
| Smiles: | C1Cc2ccccc2N(C(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2413 |
| logD: | 3.4097 |
| logSw: | -4.2743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.333 |
| InChI Key: | OYANWEQMFTUOGS-UHFFFAOYSA-N |