Chemical ID: 5994193

CC1=C(C(NC(=S)N1C)c2cccc(c2)NC(=O)Nc3ccccc3OC)C(=O)OCC(C)C
Chemical ID:
5994193
Name [?]:
isobutyl 4-[3-[(2-methoxyphenyl)carbamoylamino]phenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1C)c2cccc(c2)NC(=O)Nc3ccccc3OC)C(=O)OCC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N4O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.5594
Area:696.163
Solvation:-3.84473
Coulombic:-82.3206
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:482.596
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.82
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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