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Chemical ID: 7142704
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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