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Chemical ID: 6233932
Chemical ID:
6233932
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccc5c(c4)OCO5)C6CCCCC6
InChi [?]:
InChI=1/C28H26N4O6/c1-2-36-28(35)20-15-19-24(29-23-10-6-7-13-31(23)27(19)34)32(18-8-4-3-5-9-18)25(20)30-26(33)17-11-12-21-22(14-17)38-16-37-21/h6-7,10-15,18H,2-5,8-9,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,36,35,37,13,14,34,38,12,25,26,15,29,7,31,24,33,8,6,27,28,11,9,20,22,17,4,10,21,16,19,23,18,5,3,32,30/E:(4,5)(8,9)/rA:38nCCOCOCCCCNCCCCCNCONCNCOCCCCCCOCOCCCCCC/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;d25;s26;d27;d24s28;s28;s30;s27s31;s19;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N4O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7463 |
Area: | 693.313 |
Solvation: | -4.58651 |
Coulombic: | -81.0305 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 514.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.69 |
LogP (Chemaxon): | 4.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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