2-chloro-5-(5-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(5-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
2-chloro-5-(5-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 4215-0145 |
| Compound Name: | 2-chloro-5-(5-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 453.9 |
| Molecular Formula: | C22 H16 Cl N3 O4 S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8738 |
| logD: | 0.4434 |
| logSw: | -4.7298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.015 |
| InChI Key: | KRAZARVWMZRCBW-UHFFFAOYSA-N |