Chemical ID: 5994018

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccccc3)C(=O)OCC(C)C)C
Chemical ID:
5994018
Name [?]:
isobutyl 1-ethyl-6-methyl-4-[4-(phenylcarbamoylamino)phenyl]-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccccc3)C(=O)OCC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:14.5793
Area:697.168
Solvation:-2.84993
Coulombic:-75.1685
Bond Count [?]
All:35
Single:25
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:466.597
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.33
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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