4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1360 |
| Compound Name: | 4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C28 H34 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC(NCCC3CCCCC=3)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1093 |
| logD: | 3.1093 |
| logSw: | -3.3611 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.24 |
| InChI Key: | SWJMXPQZFQPPIU-UHFFFAOYSA-N |