Chemical ID: 4489901

COc1cccc(c1)NC(=O)Cc2nnc(n2CC=C)SCc3ccc(cc3)Cl
Chemical ID:
4489901
Name [?]:
2-[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)Cc2nnc(n2CC=C)SCc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8448
Area:664.091
Solvation:-4.75752
Coulombic:-41.1654
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.936
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.49
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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