Chemical ID: 5984142

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Cl)NC(=O)c3ccc(cc3)C
Chemical ID:
5984142
Name [?]:
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Cl)NC(=O)c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:13.8459
Area:683.596
Solvation:-3.24402
Coulombic:-50.7552
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.962
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.16
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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