2-{[4-(2-methoxy-4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2-methoxy-4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2-methoxy-4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4053 |
| Compound Name: | 2-{[4-(2-methoxy-4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C27 H32 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)OC)S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9335 |
| logD: | 3.9332 |
| logSw: | -4.0062 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 73.363 |
| InChI Key: | UYFORLKFUMSETN-UHFFFAOYSA-N |