Chemical ID: 5544461

CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)C(C(C)C)NC(=O)c4ccccc4
Chemical ID:
5544461
Name [?]:
N-[1-[4-ethyl-5-(1-naphthylcarbamoylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)C(C(C)C)NC(=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N5O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.9193
Area:745.649
Solvation:-3.7219
Coulombic:-57.831
Bond Count [?]
All:38
Single:26
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:487.618
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.57
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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