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Chemical ID: 5751112
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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