N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F396-0830 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C26 H25 F N4 O2 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3c4cccnc4sc3C(N2Cc2ccc(cc2)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5075 |
| logD: | 4.5075 |
| logSw: | -4.2966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.177 |
| InChI Key: | VHFGUBWUZSQNSU-UHFFFAOYSA-N |