Chemical ID: 7313061

c1ccc2c(c1)CCCC23C(=O)N(C(=O)N3)CC(=O)NC(=O)NC4CCCCC4
Chemical ID:
7313061
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCCC23C(=O)N(C(=O)N3)CC(=O)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C21H26N4O4/c26-17(23-19(28)22-15-9-2-1-3-10-15)13-25-18(27)21(24-20(25)29)12-6-8-14-7-4-5-11-16(14)21/h4-5,7,11,15H,1-3,6,8-10,12-13H2,(H,24,29)(H2,22,23,26,28)
InChi Info:
AuxInfo=1/1/N:27,26,28,1,2,8,6,7,25,29,3,9,17,5,24,4,18,11,21,14,10,23,20,16,13,19,12,22,15/E:(2,3)(9,10)/rA:29cCCCCCCCCCCCONCONCCONCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s18;s20;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4O4
All Atoms:55
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.88029
Area:603.855
Solvation:-5.21607
Coulombic:-82.2175
Bond Count [?]
All:32
Single:25
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:398.456
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.78
LogP (Chemaxon):1.74

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Descriptor Annotations

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