Chemical ID: 6587022

CCN(Cc1ccccc1)c2ccc(cc2)C=C(C#N)c3nc4ccccc4s3
Chemical ID:
6587022
Name [?]:
2-benzothiazol-2-yl-3-[4-(benzyl-ethyl-amino)phenyl]-prop-2-enenitrile
SMILES [?]:
CCN(Cc1ccccc1)c2ccc(cc2)C=C(C#N)c3nc4ccccc4s3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.4548
Area:628.701
Solvation:-2.26274
Coulombic:-20.0694
Bond Count [?]
All:32
Single:20
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:395.52
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.72
LogP (Chemaxon):7.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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