8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9257 |
| Compound Name: | 8-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]sulfanyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C24 H30 N6 O3 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCC(N1C2CCN(C)CC2c2cc(C)ccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3749 |
| logD: | 0.6383 |
| logSw: | -2.9432 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.708 |
| InChI Key: | APLKBJAQBJRJIP-UHFFFAOYSA-N |