4-{[(1,3-benzothiazol-2-yl)methyl]sulfanyl}-2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{[(1,3-benzothiazol-2-yl)methyl]sulfanyl}-2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidine
4-{[(1,3-benzothiazol-2-yl)methyl]sulfanyl}-2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0695 |
| Compound Name: | 4-{[(1,3-benzothiazol-2-yl)methyl]sulfanyl}-2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 488.03 |
| Molecular Formula: | C26 H18 Cl N3 O S2 |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)[Cl])nc3SCc3nc4ccccc4s3)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 8.9251 |
| logD: | 8.9221 |
| logSw: | -6.763 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.031 |
| InChI Key: | GWELTQCEZCDRBH-UHFFFAOYSA-N |