Chemical ID: 6468720

CC(C)N1C(=O)C(=Cc2cc(c(c(c2)Br)O)Br)SC1=Nc3ccccc3
Chemical ID:
6468720
Name [?]:
5-[(3,5-dibromo-4-hydroxy-phenyl)methylene]-3-isopropyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CC(C)N1C(=O)C(=Cc2cc(c(c(c2)Br)O)Br)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H16Br2N2O2S/c1-11(2)23-18(25)16(10-12-8-14(20)17(24)15(21)9-12)26-19(23)22-13-6-4-3-5-7-13/h3-11,24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,23,25,22,26,10,14,8,2,9,21,11,13,7,12,5,19,17,15,20,4,16,6,18/E:(1,2)(4,5)(6,7)(8,9)(14,15)(20,21)/rA:26nCCCNCOCCCCCCCCBrOBrSCNCCCCCC/rB:s1;s2;s2;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s13;s12;s11;s7;s4s18;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Br2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4383
Area:561.106
Solvation:-2.58937
Coulombic:-42.2118
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:496.217
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.31
LogP (Chemaxon):6.65

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Descriptor Annotations

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