ChemDB: Chemical Search
Download
Chemical ID: 6337977
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|