4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide
Chemical Structure Depiction of
4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide
4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide
Compound characteristics
| Compound ID: | 8015-5215 |
| Compound Name: | 4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-ethyl-2,4-dioxobutanamide |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CCNC(C(/C(=C1/c2ccccc2CC(C)(C)N1)C(N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8282 |
| logD: | 2.7853 |
| logSw: | -3.6092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.71 |
| InChI Key: | IPCJXRRTLGRZHT-UHFFFAOYSA-N |