methyl [5-(N-methyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl [5-(N-methyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
methyl [5-(N-methyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S008-0052 |
| Compound Name: | methyl [5-(N-methyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 389.88 |
| Molecular Formula: | C20 H23 N3 O3 |
| Salt: | HCl |
| Smiles: | CNCCC(N1c2ccccc2CCc2ccc(cc12)NC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0287 |
| logD: | 1.9715 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.625 |
| InChI Key: | TZEUGHGLVRMLDW-UHFFFAOYSA-N |