9-{3-[(1H-benzotriazol-1-yl)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-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{3-[(1H-benzotriazol-1-yl)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: | 3647-4402 |
| Compound Name: | 9-{3-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C31 H33 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(Cn3c4ccccc4nn3)c2)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.586 |
| logD: | 4.586 |
| logSw: | -4.6615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.454 |
| InChI Key: | VKWOHZHSACNWNY-UHFFFAOYSA-N |