ethyl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1)
ethyl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4119-0059 |
| Compound Name: | ethyl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C26 H34 N4 O4 |
| Salt: | HCl |
| Smiles: | CCOC(Nc1ccc2CCc3ccccc3N(C(CCN3CCN(CC3)CCO)=O)c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0366 |
| logD: | 2.8407 |
| logSw: | -3.3393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.546 |
| InChI Key: | QRTACKCQMQQSMJ-UHFFFAOYSA-N |