Chemical ID: 6274432

C=CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Oc4ccccc4)Br
Chemical ID:
6274432
Name [?]:
N-(3-allyl-6-bromo-benzothiazol-2-ylidene)-2-phenoxy-benzamide
SMILES [?]:
C=CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Oc4ccccc4)Br
InChi [?]:
InChI=1/C23H17BrN2O2S/c1-2-14-26-19-13-12-16(24)15-21(19)29-23(26)25-22(27)18-10-6-7-11-20(18)28-17-8-4-3-5-9-17/h2-13,15H,1,14H2
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,18,19,24,28,17,20,7,6,3,9,8,23,16,5,21,10,14,12,29,13,4,15,22,11/E:(4,5)(8,9)/rA:29nCCCNCCCCCCSCNCOCCCCCCOCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s25;d26;d23s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17BrN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0038
Area:599.343
Solvation:-2.9798
Coulombic:-35.3613
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:465.363
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.74
LogP (Chemaxon):7.58

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Descriptor Annotations

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