2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0258 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 399.87 |
| Molecular Formula: | C20 H15 Cl F N3 O S |
| Smiles: | C=CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.8236 |
| logD: | 4.8236 |
| logSw: | -4.8973 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.979 |
| InChI Key: | NZZWDEJNGXJMPR-UHFFFAOYSA-N |