2-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V010-3738 |
| Compound Name: | 2-({4-[3,5-bis(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 646.65 |
| Molecular Formula: | C30 H32 F6 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2788 |
| logD: | 6.2785 |
| logSw: | -5.5393 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | UZDCECMEIHTSIY-UHFFFAOYSA-N |