4-{[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
4-{[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | K292-1892 |
| Compound Name: | 4-{[2-({2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C24 H19 N3 O6 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1Cc1ccc(cc1)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9595 |
| logD: | 0.988 |
| logSw: | -3.8914 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.823 |
| InChI Key: | HGDVHUUCXBHEBD-UHFFFAOYSA-N |