Chemical ID: 5751112

CC(=Cc1ccccc1)C=C2C(=NC(=Nc3ccc(cc3)Br)S2)O
Chemical ID:
5751112
Name [?]:
2-(4-bromophenyl)imino-5-(2-methyl-3-phenyl-prop-2-enylidene)-thiazol-4-ol
SMILES [?]:
CC(=Cc1ccccc1)C=C2C(=NC(=Nc3ccc(cc3)Br)S2)O
InChi [?]:
InChI=1/C19H15BrN2OS/c1-13(11-14-5-3-2-4-6-14)12-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,18,20,17,21,3,10,2,4,19,16,11,12,14,22,15,13,24,23/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCCCNCNCCCCCCBrSO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;w10;s11;d12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s11s14;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15BrN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.9476
Area:551.243
Solvation:-1.83353
Coulombic:-33.0413
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:3
Rigid Segments:4
Chemical Properties
Molecular Weight:399.305
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):6.52

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