4-{[2-{[2-(2-chloro-4-methylanilino)-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-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | E793-3701 |
| Compound Name: | 4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C23 H24 Cl N3 O4 S2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSC1=Nc2ccsc2C(N1CC1CCC(CC1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3526 |
| logD: | 1.7923 |
| logSw: | -4.2257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.841 |
| InChI Key: | BWCRFVBVPSMXNU-UHFFFAOYSA-N |