N-[5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-2-methylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-2-methylpropanamide--hydrogen chloride (1/1)
N-[5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-2-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2856-0004 |
| Compound Name: | N-[5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-2-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 444.02 |
| Molecular Formula: | C25 H33 N3 O2 |
| Salt: | HCl |
| Smiles: | CCN(CC)CCC(N1c2ccccc2CCc2ccc(cc12)NC(C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7233 |
| logD: | 4.1405 |
| logSw: | -4.1999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.719 |
| InChI Key: | RNSURYWNYYLITI-UHFFFAOYSA-N |