3-ethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-ethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-ethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0073 |
| Compound Name: | 3-ethyl-2-{[(naphthalen-1-yl)methyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C23 H19 N3 O S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1cccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1186 |
| logD: | 5.1186 |
| logSw: | -5.7182 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.454 |
| InChI Key: | KXYXTLPFHGREKU-UHFFFAOYSA-N |