Chemical ID: 7538632

C=CCn1c(nnc1SCC(=O)Nc2ccccc2)CCNC(=O)c3ccc(cc3)F
Chemical ID:
7538632
Name [?]:
N-[2-[4-allyl-5-(phenylcarbamoylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-4-fluoro-benzamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2ccccc2)CCNC(=O)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22FN5O2S
All Atoms:53
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:11.974
Area:685.691
Solvation:-5.16831
Coulombic:-58.8237
Bond Count [?]
All:33
Single:22
Double:11
Rotors:12
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.64
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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