4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0755 |
| Compound Name: | 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | CC(C)CN1C(C(C(N2CCC3(CC2)OCCO3)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1958 |
| logD: | 3.1958 |
| logSw: | -3.5173 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.026 |
| InChI Key: | SCBOLWXFANGRFQ-UHFFFAOYSA-N |