methyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate
Chemical Structure Depiction of
methyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate
methyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate
Compound characteristics
| Compound ID: | 4119-0055 |
| Compound Name: | methyl [5-(N,N-diethyl-beta-alanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C23 H29 N3 O3 |
| Smiles: | CCN(CC)CCC(N1c2ccccc2CCc2ccc(cc12)NC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2617 |
| logD: | 3.679 |
| logSw: | -4.1 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.22 |
| InChI Key: | JTVFPSMILIWOJL-UHFFFAOYSA-N |