2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]bis(1-phenylethan-1-one)
Chemical Structure Depiction of
2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]bis(1-phenylethan-1-one)
2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]bis(1-phenylethan-1-one)
Compound characteristics
| Compound ID: | 5504-0144 |
| Compound Name: | 2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]bis(1-phenylethan-1-one) |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C26 H23 N3 O2 S2 |
| Smiles: | C1CCc2c(C1)c1c(nc(nc1[nH]2)SCC(c1ccccc1)=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.167 |
| logD: | 5.167 |
| logSw: | -5.4668 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.711 |
| InChI Key: | AFMWRQISXPYLCN-UHFFFAOYSA-N |