diethyl 2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]diacetate
Chemical Structure Depiction of
diethyl 2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]diacetate
diethyl 2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]diacetate
Compound characteristics
Compound ID: | 6085-0117 |
Compound Name: | diethyl 2,2'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediyl)]diacetate |
Molecular Weight: | 409.52 |
Molecular Formula: | C18 H23 N3 O4 S2 |
Smiles: | CCOC(CSc1c2c3CCCCc3[nH]c2nc(n1)SCC(=O)OCC)=O |
Stereo: | ACHIRAL |
logP: | 3.5449 |
logD: | 3.5448 |
logSw: | -3.9037 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.077 |
InChI Key: | WSULZUFTLLRZRM-UHFFFAOYSA-N |