9-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 3647-4396 |
| Compound Name: | 9-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 543.68 |
| Molecular Formula: | C32 H33 N O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(CSc3nc4ccccc4o3)c2)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3343 |
| logD: | 6.3343 |
| logSw: | -5.562 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.419 |
| InChI Key: | AJBNPDFIBHSAMD-UHFFFAOYSA-N |