Chemical ID: 5327698

CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3
Chemical ID:
5327698
Name [?]:
2-[4-[2-(4-cyclohexylbutyl-(cyclohexylcarbamoyl)amino)ethyl]phenyl]sulfanyl-2-methyl-propanoic acid
SMILES [?]:
CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H46N2O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:17.0066
Area:800.07
Solvation:-2.99518
Coulombic:-62.189
Bond Count [?]
All:37
Single:32
Double:5
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:502.753
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.9
LogP (Chemaxon):6.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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