Chemical ID: 6465164

COCCCN1C(=O)C(=Cc2c[nH]c3c2cc(cc3)Br)SC1=O
Chemical ID:
6465164
Name [?]:
5-[(5-bromo-1H-indol-3-yl)methylene]-3-(3-methoxypropyl)thiazolidine-2,4-dione
SMILES [?]:
COCCCN1C(=O)C(=Cc2c[nH]c3c2cc(cc3)Br)SC1=O
InChi [?]:
InChI=1/C16H15BrN2O3S/c1-22-6-2-5-19-15(20)14(23-16(19)21)7-10-9-18-13-4-3-11(17)8-12(10)13/h3-4,7-9,18H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,18,19,5,3,10,16,12,11,17,15,14,9,7,22,20,13,6,8,23,2,21/rA:23nCOCCCNCOCCCCNCCCCCCBrSCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;w9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s17;s9;s6s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.57533
Area:544.936
Solvation:-4.04808
Coulombic:-46.2707
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:395.272
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):3.15

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Descriptor Annotations

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