2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C880-0783 |
| Compound Name: | 2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-[3-(cyclohexylsulfanyl)propyl]acetamide |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C28 H32 N4 O2 S |
| Smiles: | C1CCC(CC1)SCCCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7079 |
| logD: | 4.7079 |
| logSw: | -4.7085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.577 |
| InChI Key: | QMTJWDUXEZYREI-UHFFFAOYSA-N |