Chemical ID: 5509462

CC(C)(C)c1ccc(cc1)c2nnc(n2C3CCCCC3)SCC(=O)Nc4ccc(cc4)C(=O)N
Chemical ID:
5509462
Name [?]:
4-[2-[[4-cyclohexyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(n2C3CCCCC3)SCC(=O)Nc4ccc(cc4)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33N5O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.9537
Area:750.112
Solvation:-3.79915
Coulombic:-61.1459
Bond Count [?]
All:38
Single:28
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:491.649
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:7.06
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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