Chemical ID: 5766811

CCc1c(cc(s1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br
Chemical ID:
5766811
Name [?]:
2-amino-4-(4-bromo-5-ethyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SMILES [?]:
CCc1c(cc(s1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19BrN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.4213
Area:525.059
Solvation:-2.70512
Coulombic:-34.7722
Bond Count [?]
All:26
Single:20
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:407.326
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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