ChemDB: Chemical Search
Download
Chemical ID: 6262636
Chemical ID:
6262636
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C(=O)Nc2nc3c4ccccc4ccc3s2
InChi [?]:
InChI=1/C22H21N3OS/c1-3-25(4-2)17-12-9-16(10-13-17)21(26)24-22-23-20-18-8-6-5-7-15(18)11-14-19(20)27-22/h5-14H,3-4H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,20,22,19,8,10,24,7,11,25,23,9,6,18,26,17,12,15,16,14,3,13,27/E:(1,2)(3,4)(9,10)(12,13)/rA:27nCCNCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4254 |
Area: | 594.436 |
Solvation: | -2.4355 |
Coulombic: | -36.3728 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.488 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.22 |
LogP (Chemaxon): | 6.09 |
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 |
---|