3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8005-8553 |
| Compound Name: | 3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0634 |
| logD: | 4.0634 |
| logSw: | -4.2604 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.149 |
| InChI Key: | IVGOMZYTBZEOJX-UHFFFAOYSA-N |