Chemical ID: 5993161

CC1=C(C(NC(=S)N1C)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCCOC
Chemical ID:
5993161
Name [?]:
2-methoxyethyl 4-[4-(1-adamantylcarbonylamino)phenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1C)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCCOC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H35N3O4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.9416
Area:703.524
Solvation:-4.64651
Coulombic:-67.7986
Bond Count [?]
All:39
Single:32
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:497.651
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.39
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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