Chemical ID: 4459007

COCCn1c(nnc1SCC(=O)NCc2ccccc2)Cc3ccccc3
Chemical ID:
4459007
Name [?]:
N-benzyl-2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COCCn1c(nnc1SCC(=O)NCc2ccccc2)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1139
Area:663.594
Solvation:-4.47599
Coulombic:-42.863
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:396.507
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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