dimethyl 5,5'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediylmethylene)]di(furan-2-carboxylate)
Chemical Structure Depiction of
dimethyl 5,5'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediylmethylene)]di(furan-2-carboxylate)
dimethyl 5,5'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediylmethylene)]di(furan-2-carboxylate)
Compound characteristics
| Compound ID: | 6085-0119 |
| Compound Name: | dimethyl 5,5'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediylmethylene)]di(furan-2-carboxylate) |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C24 H23 N3 O6 S2 |
| Smiles: | COC(c1ccc(CSc2c3c4CCCCc4[nH]c3nc(n2)SCc2ccc(C(=O)OC)o2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2415 |
| logD: | 5.2414 |
| logSw: | -5.1775 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.247 |
| InChI Key: | IEJRDELTQCLRFL-UHFFFAOYSA-N |