Chemical ID: 7142704

CCCCN=C1N(C(=O)C(=Cc2c[nH]c3c2cccc3)S1)CCCC
Chemical ID:
7142704
Name [?]:
3-butyl-2-butylimino-5-(1H-indol-3-ylmethylene)thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2c[nH]c3c2cccc3)S1)CCCC
InChi [?]:
InChI=1/C20H25N3OS/c1-3-5-11-21-20-23(12-6-4-2)19(24)18(25-20)13-15-14-22-17-10-8-7-9-16(15)17/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,24,3,23,18,19,17,20,4,22,11,13,12,16,15,10,8,6,5,14,7,9,21/rA:25nCCCCNCNCOCCCCNCCCCCCSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s6s10;s7;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3OS
All Atoms:50
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:12.8135
Area:601.543
Solvation:-2.22503
Coulombic:-37.1635
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.55
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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