5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V004-9529 |
| Compound Name: | 5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 635.66 |
| Molecular Formula: | C30 H32 F3 N3 O7 S |
| Smiles: | COc1cccc(COC2=COC(CN3CCCN(CC3)S(c3ccc4CCN(Cc4c3)C(C(F)(F)F)=O)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3217 |
| logD: | 3.3214 |
| logSw: | -3.7801 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 89.858 |
| InChI Key: | YOFWXJYYVFBVAT-UHFFFAOYSA-N |