methyl [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
methyl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
methyl [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: | S008-0118 |
| Compound Name: | methyl [5-(N,N-dimethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C21 H25 N3 O3 |
| Salt: | HCl |
| Smiles: | CN(C)CCC(N1c2ccccc2CCc2ccc(cc12)NC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4907 |
| logD: | 3.1121 |
| logSw: | -3.7518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.675 |
| InChI Key: | OZAIYDAHOMNNGT-UHFFFAOYSA-N |