N-{5-[3-(4-methylpiperazin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide--hydrogen chloride (1/2)
Chemical Structure Depiction of
N-{5-[3-(4-methylpiperazin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide--hydrogen chloride (1/2)
N-{5-[3-(4-methylpiperazin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 3966-0057 |
| Compound Name: | N-{5-[3-(4-methylpiperazin-1-yl)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide--hydrogen chloride (1/2) |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C30 H42 N4 O2 |
| Salt: | 2HCl |
| Smiles: | CCCC(CCC)C(Nc1ccc2CCc3ccccc3N(C(CCN3CCN(C)CC3)=O)c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4031 |
| logD: | 4.7566 |
| logSw: | -5.2669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.495 |
| InChI Key: | QKVCVVOYWQFGNS-UHFFFAOYSA-N |