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Chemical ID: 6131579
Chemical ID:
6131579
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)CCc4ccccc4)C(C)C
InChi [?]:
InChI=1/C26H26N4O4/c1-4-34-26(33)20-16-19-23(27-21-12-8-9-15-29(21)25(19)32)30(17(2)3)24(20)28-22(31)14-13-18-10-6-5-7-11-18/h5-12,15-17H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,34,2,29,28,30,13,14,27,31,12,25,24,15,7,32,26,8,6,11,22,9,20,17,4,10,21,16,19,23,18,5,3/E:(2,3)(6,7)(10,11)/rA:34nCCOCOCCCCNCCCCCNCONCNCOCCCCCCCCCCC/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;s25;s26;d27;s28;d29;d26s30;s19;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.26 |
Area: | 662.568 |
Solvation: | -3.30424 |
Coulombic: | -64.4639 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 458.509 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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