2,4-bis[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Chemical Structure Depiction of
2,4-bis[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
2,4-bis[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Compound characteristics
| Compound ID: | 6085-0116 |
| Compound Name: | 2,4-bis[(3-methylbutyl)sulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole |
| Molecular Weight: | 377.61 |
| Molecular Formula: | C20 H31 N3 S2 |
| Smiles: | CC(C)CCSc1c2c3CCCCc3[nH]c2nc(n1)SCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.3332 |
| logD: | 6.3331 |
| logSw: | -5.8518 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.7598 |
| InChI Key: | KGPOHTZXKYPBPH-UHFFFAOYSA-N |