ChemDB: Chemical Search
Download
Chemical ID: 7346681
Chemical ID:
7346681
Name [?]:
None
SMILES [?]:
CCCCNC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C23H23N3O2/c1-2-3-12-24-22(27)19-13-17-14-8-6-7-11-18(14)25-20(17)21-15-9-4-5-10-16(15)23(28)26(19)21/h4-11,19,21,25H,2-3,12-13H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,27,13,14,12,25,28,15,4,9,11,24,23,10,16,8,18,19,6,21,5,17,20,7,22/rA:28cCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d10s17;s18;s8s19;s20;d21;s21;s19s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4397 |
Area: | 583.496 |
Solvation: | -3.14774 |
Coulombic: | -52.0398 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.24 |
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 |
---|