ChemDB: Chemical Search
Download
Chemical ID: 7741107
Chemical ID:
7741107
Name [?]:
None
SMILES [?]:
Cc1cn2c3c(nc2n1C4CCCCC4)n(c(=O)n(c3=O)CCc5ccccc5)C
InChi [?]:
InChI=1/C23H27N5O2/c1-16-15-27-19-20(24-22(27)28(16)18-11-7-4-8-12-18)25(2)23(30)26(21(19)29)14-13-17-9-5-3-6-10-17/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,27,13,26,28,12,14,25,29,11,15,23,22,3,2,24,10,5,6,20,8,17,7,16,19,4,9,21,18/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCNCCNCNCCCCCCNCONCOCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s9;s10;s11;s12;s13;s10s14;s6;s16;d17;s17;s5s19;d20;s19;s22;s23;s24;d25;s26;d27;d24s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N5O2 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.2208 |
Area: | 620.645 |
Solvation: | -2.29533 |
Coulombic: | -56.7069 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.32 |
LogP (Chemaxon): | None |
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 |
---|