4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methyl-2,4-dioxobutanamide
Chemical Structure Depiction of
4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methyl-2,4-dioxobutanamide
4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methyl-2,4-dioxobutanamide
Compound characteristics
| Compound ID: | 8015-5220 |
| Compound Name: | 4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-methyl-2,4-dioxobutanamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C22 H29 N3 O3 |
| Smiles: | CC1(C)Cc2ccccc2/C(=C(/C(C(NC)=O)=O)C(N2CCCCCC2)=O)N1 |
| Stereo: | ACHIRAL |
| logP: | 2.5583 |
| logD: | 2.5154 |
| logSw: | -3.2435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.235 |
| InChI Key: | ZOKYQKQYABRQFR-UHFFFAOYSA-N |