5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
Compound ID: | V003-1859 |
Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}-1,4-diazepan-1-yl)methyl]-4H-pyran-4-one |
Molecular Weight: | 618.2 |
Molecular Formula: | C34 H36 Cl N3 O4 S |
Salt: | not_available |
Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3cccnc3Sc3ccc(cc3)[Cl])=O)=CC2=O)cc1 |
Stereo: | ACHIRAL |
logP: | 6.3392 |
logD: | 6.3359 |
logSw: | -6.1516 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 59.578 |
InChI Key: | HYSDYQPVPZNWMF-UHFFFAOYSA-N |