Chemical ID: 6337977

Cc1c(c2ccccc2[nH]1)C=NNC(=O)c3csc4c3CCCC4
Chemical ID:
6337977
Name [?]:
N-[(2-methyl-1H-indol-3-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=NNC(=O)c3csc4c3CCCC4
InChi [?]:
InChI=1/C19H19N3OS/c1-12-15(13-6-2-4-8-17(13)21-12)10-20-22-19(23)16-11-24-18-9-5-3-7-14(16)18/h2,4,6,8,10-11,21H,3,5,7,9H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,6,22,7,23,5,21,8,24,11,17,2,4,20,3,16,9,19,14,12,10,13,15,18/rA:24nCCCCCCCCCNCNNCOCCSCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;s13;d14;s14;d16;s17;s18;s16d19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3628
Area:525.899
Solvation:-2.78465
Coulombic:-31.3122
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:337.44
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):4.15

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Descriptor Annotations

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