5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4028 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(4-propylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 542.72 |
| Molecular Formula: | C28 H34 N2 O5 S2 |
| Salt: | not_available |
| Smiles: | CCCc1ccc(cc1)S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0138 |
| logD: | 5.0135 |
| logSw: | -4.612 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.733 |
| InChI Key: | HCGGIXCZLONCBH-UHFFFAOYSA-N |