(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | C226-3802 |
| Compound Name: | (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C21 H26 N2 O2 |
| Smiles: | CC(C)(C)C1CCc2c(C1)c(C(N1CCc3ccccc3C1)=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5305 |
| logD: | 4.5305 |
| logSw: | -4.1702 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.949 |
| InChI Key: | XMAYWBOSRLJEGA-MRXNPFEDSA-N |