ChemDB: Chemical Search
Download
Chemical ID: 6233983
Chemical ID:
6233983
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)C(C)Oc4ccccc4)Cc5ccco5
InChi [?]:
InChI=1/C28H24N4O6/c1-3-36-28(35)22-16-21-24(29-23-13-7-8-14-31(23)27(21)34)32(17-20-12-9-15-37-20)25(22)30-26(33)18(2)38-19-10-5-4-6-11-19/h4-16,18H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,30,29,31,13,14,36,28,32,35,12,15,37,7,33,24,27,34,8,6,11,9,20,22,17,4,10,21,16,19,23,18,5,3,38,26/E:(5,6)(10,11)/rA:38cCCOCOCCCCNCCCCCNCONCNCOCCOCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s19;s33;d34;s35;d36;s34s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N4O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7396 |
Area: | 695.055 |
Solvation: | -5.63678 |
Coulombic: | -79.1388 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 512.514 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.73 |
LogP (Chemaxon): | 4.02 |
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 |
---|