2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-one
Chemical Structure Depiction of
2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-one
2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-one
Compound characteristics
| Compound ID: | J105-0143 |
| Compound Name: | 2'-(2-methoxyethyl)-4'-(thiomorpholine-4-carbonyl)-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | COCCN1C(c2ccccc2C(C(N2CCSCC2)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2284 |
| logD: | 2.2284 |
| logSw: | -2.7635 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.236 |
| InChI Key: | CMBAJZIUZVIBCT-GOSISDBHSA-N |