Chemical ID: 5283920

CCOc1cc(ccc1O)C2c3c(nn(c3O)c4ccccc4)NC5=C2C(=O)CC(C5)(C)C
Chemical ID:
5283920
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(nn(c3O)c4ccccc4)NC5=C2C(=O)CC(C5)(C)C
InChi [?]:
InChI=1/C26H27N3O4/c1-4-33-20-12-15(10-11-18(20)30)21-22-17(13-26(2,3)14-19(22)31)27-24-23(21)25(32)29(28-24)16-8-6-5-7-9-16/h5-12,21,30,32H,4,13-14H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,32,33,2,21,20,22,19,23,7,8,5,31,29,6,18,25,9,27,4,11,26,12,13,16,30,24,14,15,10,28,17,3/E:(2,3)(6,7)(8,9)/rA:33cCCOCCCCCCOCCCNNCOCCCCCCNCCCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s14;d12s15;s16;s15;s18;d19;s20;d21;d18s22;s13;s24;s11d25;s26;d27;s27;s29;s25s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.0817
Area:632.494
Solvation:-5.73066
Coulombic:-65.5944
Bond Count [?]
All:37
Single:27
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:445.51
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.97
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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