Chemical ID: 5462548

CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nnc(n2C3CCCCC3)c4ccc(c(c4)OC)OC
Chemical ID:
5462548
Name [?]:
N-benzyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)CSc2nnc(n2C3CCCCC3)c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H38N4O3S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.9905
Area:762.038
Solvation:-6.06047
Coulombic:-45.0242
Bond Count [?]
All:40
Single:31
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:522.703
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.51
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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