2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | M060-0283 |
| Compound Name: | 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C21 H19 F N4 O S |
| Smiles: | C(Cc1ccccc1)CNC(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.891 |
| logD: | 3.8903 |
| logSw: | -4.1268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.813 |
| InChI Key: | JDRAGOCTNDUEKY-UHFFFAOYSA-N |