4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-sulfonyl]benzonitrile
4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V008-4062 |
| Compound Name: | 4-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepane-1-sulfonyl]benzonitrile |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C29 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(C#N)cc3)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3381 |
| logD: | 4.3378 |
| logSw: | -4.2258 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.789 |
| InChI Key: | HPBPPGYSKQETHA-UHFFFAOYSA-N |