Chemical ID: 3847426

CCOC(=O)c1cccc(c1)NC(=O)CSc2ncc(c(n2)N)C#N
Chemical ID:
3847426
Name [?]:
ethyl 3-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)CSc2ncc(c(n2)N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H15N5O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6213
Area:596.839
Solvation:-4.29964
Coulombic:-70.0865
Bond Count [?]
All:26
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.388
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.46
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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