3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)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-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5153 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N,N,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 573.18 |
| Molecular Formula: | C28 H33 Cl N4 O3 S2 |
| Smiles: | Cc1c2C(N(CCc3ccc(cc3)[Cl])C(=Nc2sc1C(N(C)C)=O)SCC(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1066 |
| logD: | 4.1066 |
| logSw: | -4.7663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.157 |
| InChI Key: | PJCAVNBZEBDDFQ-UHFFFAOYSA-N |