Chemical ID: 5294485

CC(=NOCc1nc2c3c(ncn2n1)Oc4cc(ccc4C3c5ccc(cc5)OC)O)c6ccc(cc6)OC
Chemical ID:
5294485
Name [?]:
None
SMILES [?]:
CC(=NOCc1nc2c3c(ncn2n1)Oc4cc(ccc4C3c5ccc(cc5)OC)O)c6ccc(cc6)OC
InChi [?]:
InChI=1/C29H25N5O5/c1-17(18-4-9-21(36-2)10-5-18)33-38-15-25-31-28-27-26(19-6-11-22(37-3)12-7-19)23-13-8-20(35)14-24(23)39-29(27)30-16-34(28)32-25/h4-14,16,26,35H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,39,30,33,37,24,28,19,34,36,25,27,20,17,5,12,2,32,23,18,35,26,21,16,6,22,9,8,10,11,7,14,3,13,31,38,29,4,15/E:(4,5)(6,7)(9,10)(11,12)/rA:39cCCNOCCNCCCNCNNOCCCCCCCCCCCCCOCOCCCCCCOC/rB:s1;w2;s3;s4;s5;s6;d7;s8;d9;s10;d11;s8s12;d6s13;s10;s15;s16;d17;s18;d19;d16s20;s9s21;s22;s23;d24;s25;d26;d23s27;s26;s29;s18;s2;s32;d33;s34;d35;d32s36;s35;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25N5O5
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:11.1692
Area:746.449
Solvation:-7.49202
Coulombic:-60.1945
Bond Count [?]
All:44
Single:30
Double:14
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:523.539
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.71
LogP (Chemaxon):5.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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