N-[2-(4-chlorophenyl)ethyl]-3-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
N-[2-(4-chlorophenyl)ethyl]-3-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C241-2186 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide |
| Molecular Weight: | 514.99 |
| Molecular Formula: | C23 H23 Cl N6 O4 S |
| Smiles: | Cc1cc(NC(CN2C(N(CCC(NCCc3ccc(cc3)[Cl])=O)C(c3c2ccs3)=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0545 |
| logD: | 2.054 |
| logSw: | -3.1469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.861 |
| InChI Key: | JQKACKZNWLKOBV-UHFFFAOYSA-N |