Chemical ID: 5270082

Cc1ccc(cc1)Cn2c(=N)c(cc3c2nc4ccccn4c3=O)C(=O)NCCc5ccc(c(c5)OC)OC
Chemical ID:
5270082
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Cn2c(=N)c(cc3c2nc4ccccn4c3=O)C(=O)NCCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C30H29N5O4/c1-19-7-9-21(10-8-19)18-35-27(31)22(17-23-28(35)33-26-6-4-5-15-34(26)30(23)37)29(36)32-14-13-20-11-12-24(38-2)25(16-20)39-3/h4-12,15-17,31H,13-14,18H2,1-3H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,39,37,19,20,18,3,7,4,6,31,32,29,28,21,35,13,8,2,30,5,12,14,33,34,17,10,15,25,23,11,27,16,22,9,26,24,38,36/E:(7,8)(9,10)/rA:39nCCCCCCCCNCNCCCCNCCCCCNCOCONCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;w10;s10;d12;s13;s9d14;s15;d16;s17;d18;s19;d20;s17s21;s14s22;d23;s12;d25;s25;s27;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H29N5O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:12.6541
Area:777.403
Solvation:-6.78096
Coulombic:-77.4116
Bond Count [?]
All:43
Single:29
Double:14
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:523.583
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.46
LogP (Chemaxon):4.88

Name Annotations

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Descriptor Annotations

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