Chemical ID: 5984552

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Cl)NC(=O)Nc3c(cccc3C)C
Chemical ID:
5984552
Name [?]:
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methyl-pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Cl)NC(=O)Nc3c(cccc3C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26ClN5O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:14.1549
Area:711.096
Solvation:-3.6225
Coulombic:-62.4215
Bond Count [?]
All:34
Single:24
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:472.004
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.67
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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