Chemical ID: 5983728

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)c3ccc(cc3)C
Chemical ID:
5983728
Name [?]:
N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:13.8144
Area:680.247
Solvation:-3.19177
Coulombic:-50.5247
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:487.414
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.34
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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