Chemical ID: 5284361

CCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCC(CC4)Cc5ccccc5
Chemical ID:
5284361
Name [?]:
None
SMILES [?]:
CCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCC(CC4)Cc5ccccc5
InChi [?]:
InChI=1/C28H31N5O2/c1-2-3-14-33-25(29)22(19-23-26(33)30-24-11-7-8-15-32(24)28(23)35)27(34)31-16-12-21(13-17-31)18-20-9-5-4-6-10-20/h4-11,15,19,21,29H,2-3,12-14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,33,32,34,15,16,31,35,14,25,27,4,17,24,28,29,9,30,26,8,10,13,6,11,21,19,7,12,23,18,5,22,20/E:(5,6)(9,10)(12,13)(16,17)/rA:35nCCCCNCNCCCCNCCCCCNCOCONCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;w6;s6;d8;s9;s5d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s8;d21;s21;s23;s24;s25;s26;s23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H31N5O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.6511
Area:711.843
Solvation:-3.14499
Coulombic:-59.7722
Bond Count [?]
All:39
Single:28
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:469.578
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.19
LogP (Chemaxon):5.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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