Chemical ID: 6274781

CCCCCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)S(=O)(=O)C)CC=C
Chemical ID:
6274781
Name [?]:
N-(3-allyl-6-methylsulfonyl-benzothiazol-2-ylidene)-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)N=c2n(c3ccc(cc3s2)S(=O)(=O)C)CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N2O4S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.8241
Area:698.052
Solvation:-4.62716
Coulombic:-36.2789
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:458.596
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.82
LogP (Chemaxon):5.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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