Chemical ID: 5707657

c1cc2c(cc1C(=O)OCC(=O)NC3CCCC3)nc4n(c2=O)CCCCC4
Chemical ID:
5707657
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)NC3CCCC3)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C21H25N3O4/c25-19(22-15-6-3-4-7-15)13-28-21(27)14-9-10-16-17(12-14)23-18-8-2-1-5-11-24(18)20(16)26/h9-10,12,15H,1-8,11,13H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,27,16,17,25,15,18,28,1,2,24,5,10,6,14,3,4,20,11,22,7,13,19,21,12,23,8,9/E:(3,4)(6,7)/rA:28nCCCCCCCOOCCONCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;s4;d19;s20;s3s21;d22;s21;s24;s25;s26;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3918
Area:608.19
Solvation:-3.81297
Coulombic:-62.5962
Bond Count [?]
All:31
Single:24
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.441
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.14
LogP (Chemaxon):1.77

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