N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0534 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C27 H37 N5 O4 S2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCC(C)CC1)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.24 |
| logD: | 3.2078 |
| logSw: | -3.6266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.255 |
| InChI Key: | VUUYIBNYIJTQPS-UHFFFAOYSA-N |