5-[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]pentanoic acid
Chemical Structure Depiction of
5-[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]pentanoic acid
5-[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]pentanoic acid
Compound characteristics
| Compound ID: | K292-1506 |
| Compound Name: | 5-[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]pentanoic acid |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C21 H21 N3 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCCC(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.229 |
| logD: | -0.5992 |
| logSw: | -2.9241 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.049 |
| InChI Key: | ACQAIYNCHIYAEA-UHFFFAOYSA-N |