4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-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-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C154-0096 |
| Compound Name: | 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CN1C(C(C(N2CCC3(CC2)OCCO3)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6364 |
| logD: | 1.6364 |
| logSw: | -2.5096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.792 |
| InChI Key: | GKMVTHWAAUAQHP-UHFFFAOYSA-N |