Chemical ID: 6198786

c1ccc2c(c1)C(=C3C(=O)NC(=Nc4ccc(cc4)Br)S3)C(=O)N2
Chemical ID:
6198786
Name [?]:
3-[2-(4-bromophenyl)imino-4-oxo-thiazolidin-5-ylidene]indolin-2-one
SMILES [?]:
c1ccc2c(c1)C(=C3C(=O)NC(=Nc4ccc(cc4)Br)S3)C(=O)N2
InChi [?]:
InChI=1/C17H10BrN3O2S/c18-9-5-7-10(8-6-9)19-17-21-16(23)14(24-17)13-11-3-1-2-4-12(11)20-15(13)22/h1-8H,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,18,15,19,17,14,5,4,7,8,22,9,12,20,13,24,11,23,10,21/E:(5,6)(7,8)/rA:24nCCCCCCCCCONCNCCCCCCBrSCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s7;d22;s4s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10BrN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7328
Area:526.228
Solvation:-2.42294
Coulombic:-49.6133
Bond Count [?]
All:27
Single:17
Double:10
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:400.25
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):4.02

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