Chemical ID: 7350405

CC(C)C(C(=O)NC(C)C(=O)O)NC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
Chemical ID:
7350405
Name [?]:
None
SMILES [?]:
CC(C)C(C(=O)NC(C)C(=O)O)NC(=O)C1Cc2c3ccccc3[nH]c2C4N1C(=O)c5c4cccc5
InChi [?]:
InChI=1/C27H28N4O5/c1-13(2)21(25(33)28-14(3)27(35)36)30-24(32)20-12-18-15-8-6-7-11-19(15)29-22(18)23-16-9-4-5-10-17(16)26(34)31(20)23/h4-11,13-14,20-21,23,29H,12H2,1-3H3,(H,28,33)(H,30,32)(H,35,36)
InChi Info:
AuxInfo=1/1/N:1,3,9,34,35,21,22,20,33,36,23,17,2,8,19,32,31,18,24,16,4,26,27,14,5,29,10,7,25,13,28,15,6,30,11,12/E:(1,2)(35,36)/rA:36cCCCCCONCCCOONCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s8;d10;s10;s4;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s26;s16s27;s28;d29;s29;s27s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N4O5
All Atoms:64
Heavy Atoms:36
Chiral Atoms:4
ZAP Information [?]
Total:12.4928
Area:687.594
Solvation:-4.69699
Coulombic:-99.969
Bond Count [?]
All:40
Single:29
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:488.535
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.3
LogP (Chemaxon):2.45

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Descriptor Annotations

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