propan-2-yl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
propan-2-yl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
propan-2-yl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4119-0060 |
| Compound Name: | propan-2-yl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C23 H29 N3 O3 |
| Salt: | HCl |
| Smiles: | CC(C)OC(Nc1ccc2CCc3ccccc3N(C(CCN(C)C)=O)c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4692 |
| logD: | 4.0905 |
| logSw: | -4.1878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.933 |
| InChI Key: | TZWHYEACBSUGNR-UHFFFAOYSA-N |