rel-(1R,3S)-6,7-bis(dimethylamino)-1,3-bis(trifluoromethyl)-1H,3H-naphtho[1,8-cd]pyran-1,3-diol
Chemical Structure Depiction of
rel-(1R,3S)-6,7-bis(dimethylamino)-1,3-bis(trifluoromethyl)-1H,3H-naphtho[1,8-cd]pyran-1,3-diol
rel-(1R,3S)-6,7-bis(dimethylamino)-1,3-bis(trifluoromethyl)-1H,3H-naphtho[1,8-cd]pyran-1,3-diol
Compound characteristics
| Compound ID: | 3976-0289 |
| Compound Name: | rel-(1R,3S)-6,7-bis(dimethylamino)-1,3-bis(trifluoromethyl)-1H,3H-naphtho[1,8-cd]pyran-1,3-diol |
| Molecular Weight: | 424.34 |
| Molecular Formula: | C18 H18 F6 N2 O3 |
| Smiles: | CN(C)c1ccc2c3c(ccc(c13)N(C)C)[C@@](C(F)(F)F)(O)O[C@@]2(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2988 |
| logD: | 4.292 |
| logSw: | -4.5795 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.097 |
| InChI Key: | SXCCOVAVNCTXKR-IYBDPMFKSA-N |