5-[(4-tert-butylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1579 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[4-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 588.74 |
| Molecular Formula: | C29 H36 N2 O7 S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(cc3)S(C)(=O)=O)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5005 |
| logD: | 3.5002 |
| logSw: | -3.7017 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 95.482 |
| InChI Key: | FOOCMNOCILGCFB-UHFFFAOYSA-N |