3-[2-(4-chlorophenyl)ethyl]-2-{[4-(cyclohexylamino)-4-oxobutyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-{[4-(cyclohexylamino)-4-oxobutyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(4-chlorophenyl)ethyl]-2-{[4-(cyclohexylamino)-4-oxobutyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5152 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[4-(cyclohexylamino)-4-oxobutyl]sulfanyl}-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 575.19 |
| Molecular Formula: | C28 H35 Cl N4 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2sc1C(N(C)C)=O)SCCCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5706 |
| logD: | 4.5706 |
| logSw: | -4.9357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.849 |
| InChI Key: | RTAMZXUJMSWRPC-UHFFFAOYSA-N |