Chemical ID: 5994066

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(C)C)C(=O)OC(C)C)C
Chemical ID:
5994066
Name [?]:
isopropyl 1-ethyl-4-[4-[(4-isopropylphenyl)carbamoylamino]phenyl]-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(C)C)C(=O)OC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H34N4O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:15.5959
Area:737.462
Solvation:-2.84065
Coulombic:-75.0345
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:494.65
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:5.54
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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