17-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
17-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
17-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 3359-0240 |
| Compound Name: | 17-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C28 H30 N2 O3 S |
| Smiles: | CSCCC(C(N1CCCCC1)=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4464 |
| logD: | 3.4464 |
| logSw: | -3.7528 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.906 |
| InChI Key: | NGEXPXBTNLOQIS-UHFFFAOYSA-N |