Chemical ID: 6004106

CCOC(=O)CCC(=O)NC(C(C)C)C(=O)Nc1nnc(s1)c2cccc(c2)C
Chemical ID:
6004106
Name [?]:
ethyl 4-[2-methyl-1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]amino-4-oxo-butanoate
SMILES [?]:
CCOC(=O)CCC(=O)NC(C(C)C)C(=O)Nc1nnc(s1)c2cccc(c2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H26N4O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.6909
Area:685.188
Solvation:-4.43876
Coulombic:-64.2582
Bond Count [?]
All:30
Single:22
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:418.511
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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