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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C200-1167 |
| 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-methoxyphenyl)butanamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C27 H32 N4 O5 S |
| Smiles: | COc1ccc(cc1)NC(CCCN1C(c2c(ccs2)N(CC(NCCC2CCCCC=2)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9681 |
| logD: | 2.968 |
| logSw: | -3.6204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.462 |
| InChI Key: | JNDNBDKOBBPUJB-UHFFFAOYSA-N |