Chemical ID: 5276756

CC(C)Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCC(CC4)Cc5ccccc5
Chemical ID:
5276756
Name [?]:
None
SMILES [?]:
CC(C)Cn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)N4CCC(CC4)Cc5ccccc5
InChi [?]:
InChI=1/C28H31N5O2/c1-19(2)18-33-25(29)22(17-23-26(33)30-24-10-6-7-13-32(24)28(23)35)27(34)31-14-11-21(12-15-31)16-20-8-4-3-5-9-20/h3-10,13,17,19,21,29H,11-12,14-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,33,32,34,15,16,31,35,14,25,27,17,24,28,29,9,4,2,30,26,8,10,13,6,11,21,19,7,12,23,18,5,22,20/E:(1,2)(4,5)(8,9)(11,12)(14,15)/rA:35nCCCCNCNCCCCNCCCCCNCOCONCCCCCCCCCCCC/rB:s1;s2;s2;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:14.2059
Area:692.071
Solvation:-3.09584
Coulombic:-59.7345
Bond Count [?]
All:39
Single:28
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:469.578
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.92
LogP (Chemaxon):5.24

Name Annotations

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Descriptor Annotations

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