2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | F394-0260 |
| Compound Name: | 2-(3-benzyl-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C27 H27 F N4 O2 |
| Smiles: | C1CCC(CCNC(Cn2c3C(N(Cc4ccccc4)C=Nc3c3cc(ccc23)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8603 |
| logD: | 3.8603 |
| logSw: | -4.0756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.433 |
| InChI Key: | ILYVBFRPAJCKED-UHFFFAOYSA-N |