(3,4-dihydroisoquinolin-2(1H)-yl)(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C304-0339 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C25 H22 N2 O S |
| Smiles: | CCC1c2ccccc2Sc2ccc(cc2N=1)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1876 |
| logD: | 5.1861 |
| logSw: | -4.9504 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.5408 |
| InChI Key: | WKLQITYYQFBFEQ-UHFFFAOYSA-N |