N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3735 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 469.65 |
| Molecular Formula: | C29 H31 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8236 |
| logD: | 4.6737 |
| logSw: | -5.3148 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.13 |
| InChI Key: | JLUGCDDPLKMNBQ-UHFFFAOYSA-N |