3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0517 |
| Compound Name: | 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C21 H31 N5 O4 S2 |
| Smiles: | CCN1CCN(CC1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCC(C)CC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7848 |
| logD: | 0.6086 |
| logSw: | -1.5488 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.881 |
| InChI Key: | IORRGCCKZMSYHP-UHFFFAOYSA-N |