Chemical ID: 6003212

CCC(c1ccccc1)C(=O)N(CCC(C)C)CC(=O)Nc2nc(cs2)C
Chemical ID:
6003212
Name [?]:
N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N(CCC(C)C)CC(=O)Nc2nc(cs2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7151
Area:624.342
Solvation:-3.89346
Coulombic:-43.9005
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:387.54
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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