2-{[(naphthalen-1-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(naphthalen-1-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(naphthalen-1-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G864-0248 |
Compound Name: | 2-{[(naphthalen-1-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 397.5 |
Molecular Formula: | C24 H19 N3 O S |
Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc2ccccc12 |
Stereo: | ACHIRAL |
logP: | 5.3046 |
logD: | 5.3046 |
logSw: | -6.5296 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 33.708 |
InChI Key: | LHVMKCFOOCFATC-UHFFFAOYSA-N |