N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
Compound characteristics
Compound ID: | M056-0743 |
Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-{[(4-methoxyphenyl)methyl]sulfanyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
Molecular Weight: | 435.59 |
Molecular Formula: | C25 H29 N3 O2 S |
Smiles: | COc1ccc(CSc2c3ccn(CC(NCCC4CCCCC=4)=O)c3ccn2)cc1 |
Stereo: | ACHIRAL |
logP: | 3.9786 |
logD: | 3.9666 |
logSw: | -3.9584 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.034 |
InChI Key: | RHUNQIRCNIOQBL-UHFFFAOYSA-N |