5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2-chloro-4,5-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2-chloro-4,5-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2-chloro-4,5-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3802 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2-chloro-4,5-difluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 581.08 |
| Molecular Formula: | C28 H31 Cl F2 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3cc(c(cc3[Cl])F)F)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4239 |
| logD: | 5.4237 |
| logSw: | -5.8978 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.733 |
| InChI Key: | UZHCGGGLVGMXGM-UHFFFAOYSA-N |