3-{5-[(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8012-5486 |
| Compound Name: | 3-{5-[(1,5-dioxo-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C24 H16 N2 O5 S2 |
| Smiles: | C1CCc2c(C1)c1C(N=C3N(C(/C(=C/c4ccc(c5cccc(c5)C(O)=O)o4)S3)=O)c1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9776 |
| logD: | 1.4649 |
| logSw: | -4.7241 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.904 |
| InChI Key: | DBJDVODHJKLQCO-UHFFFAOYSA-N |