2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C880-2803 |
| Compound Name: | 2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C27 H27 Cl N4 O2 |
| Smiles: | C1CCC(CCNC(CN2C(c3c(C=N2)c2ccccc2n3Cc2cccc(c2)[Cl])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6502 |
| logD: | 4.6502 |
| logSw: | -4.8808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.577 |
| InChI Key: | NJGZJCZNUYCSDY-UHFFFAOYSA-N |