4-{[2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | E793-3695 |
| Compound Name: | 4-{[2-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 522.04 |
| Molecular Formula: | C23 H24 Cl N3 O5 S2 |
| Smiles: | COc1ccc(cc1NC(CSC1=Nc2ccsc2C(N1CC1CCC(CC1)C(O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8817 |
| logD: | 1.3214 |
| logSw: | -4.136 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.472 |
| InChI Key: | VZBAATIMISDUPE-UHFFFAOYSA-N |