5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4005 |
| Compound Name: | 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-{[4-(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 626.84 |
| Molecular Formula: | C33 H42 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4878 |
| logD: | 5.4875 |
| logSw: | -5.2568 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 71.75 |
| InChI Key: | NRCORZOGUHIBFS-UHFFFAOYSA-N |