N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
Compound ID: | C860-0839 |
Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide |
Molecular Weight: | 438.57 |
Molecular Formula: | C24 H27 F N4 O S |
Smiles: | C1CCC(CCNC(C2CCN(CC2)c2c3c(c4c(cccc4s3)F)ncn2)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 5.0934 |
logD: | 5.0565 |
logSw: | -5.2141 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.113 |
InChI Key: | VVZBMTXDDUZCGK-UHFFFAOYSA-N |