propan-2-yl (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
propan-2-yl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1)
propan-2-yl (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: | 4119-0071 |
| Compound Name: | propan-2-yl (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: | 517.07 |
| Molecular Formula: | C27 H36 N4 O4 |
| Salt: | HCl |
| Smiles: | CC(C)OC(Nc1ccc2CCc3ccccc3N(C(CCN3CCN(CC3)CCO)=O)c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5513 |
| logD: | 3.3554 |
| logSw: | -3.6741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.225 |
| InChI Key: | VKNYFWBIFNWUSB-UHFFFAOYSA-N |