4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}butanamide
Chemical Structure Depiction of
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}butanamide
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}butanamide
Compound characteristics
| Compound ID: | C172-0221 |
| Compound Name: | 4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}butanamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CCN(CCCNC(CCCN1C(c2c(ccs2)NC1=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.654 |
| logD: | 2.6213 |
| logSw: | -2.9816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.78 |
| InChI Key: | YRJGFYZASQASLQ-UHFFFAOYSA-N |