4-({2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
4-({2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | E793-3714 |
| Compound Name: | 4-({2-[(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 520.07 |
| Molecular Formula: | C24 H26 Cl N3 O4 S2 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6796 |
| logD: | 1.1192 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.703 |
| InChI Key: | YGXCVIBDXZBUIN-UHFFFAOYSA-N |