2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C241-1868 |
| Compound Name: | 2-[3-(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C25 H27 Cl N4 O4 S |
| Smiles: | C1CCC(CCNC(CN2C(N(CC(NCc3ccccc3[Cl])=O)C(c3c2ccs3)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5071 |
| logD: | 3.5071 |
| logSw: | -3.6696 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.262 |
| InChI Key: | KSKXQKOKGKELSP-UHFFFAOYSA-N |