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Chemical ID: 5270270
Chemical ID:
5270270
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C(=O)N=c2c(cc3c(n2CCCOC)nc4c(cccn4c3=O)C)C(=O)OCC
InChi [?]:
InChI=1/C28H30N4O6/c1-5-37-22-13-8-7-12-19(22)26(33)30-25-21(28(35)38-6-2)17-20-24(31(25)15-10-16-36-4)29-23-18(3)11-9-14-32(23)27(20)34/h7-9,11-14,17H,5-6,10,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,38,33,23,2,37,7,6,28,20,27,8,5,29,19,21,15,26,9,16,14,4,25,17,13,10,31,34,24,12,18,30,11,32,35,22,3,36/rA:38nCCOCCCCCCCONCCCCCNCCCOCNCCCCCNCOCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;w12;s13;d14;s15;d16;s13s17;s18;s19;s20;s21;s22;s17;d24;s25;d26;s27;d28;s25s29;s16s30;d31;s26;s14;d34;s34;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N4O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.735 |
Area: | 724.63 |
Solvation: | -6.3808 |
Coulombic: | -78.9016 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 518.561 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.43 |
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
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