2,4-bis{[(3,4-dichlorophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Chemical Structure Depiction of
2,4-bis{[(3,4-dichlorophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
2,4-bis{[(3,4-dichlorophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole
Compound characteristics
| Compound ID: | 8016-9513 |
| Compound Name: | 2,4-bis{[(3,4-dichlorophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole |
| Molecular Weight: | 555.37 |
| Molecular Formula: | C24 H19 Cl4 N3 S2 |
| Smiles: | C1CCc2c(C1)c1c(nc(nc1[nH]2)SCc1ccc(c(c1)[Cl])[Cl])SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.961 |
| logD: | 8.9609 |
| logSw: | -7.2396 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.2167 |
| InChI Key: | URZLQLVCAUUKFH-UHFFFAOYSA-N |