Chemical ID: 7670189

CCN(CC)CC1=C(C(NC(=O)N1)c2ccc(c(c2)COC)OC)C(=O)OCC
Chemical ID:
7670189
Name [?]:
None
SMILES [?]:
CCN(CC)CC1=C(C(NC(=O)N1)c2ccc(c(c2)COC)OC)C(=O)OCC
InChi [?]:
InChI=1/C21H31N3O5/c1-6-24(7-2)12-16-18(20(25)29-8-3)19(23-21(26)22-16)14-9-10-17(28-5)15(11-14)13-27-4/h9-11,19H,6-8,12-13H2,1-5H3,(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,29,22,24,2,4,28,15,16,19,6,20,14,18,7,17,8,9,25,11,13,10,3,26,12,21,23,27/E:(1,2)(6,7)/rA:29cCCNCCCCCCNCONCCCCCCCOCOCCOOCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;s10;d11;s7s11;s9;s14;d15;s16;d17;d14s18;s18;s20;s21;s17;s23;s8;d25;s25;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31N3O5
All Atoms:60
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.0371
Area:596.789
Solvation:-4.88259
Coulombic:-74.2371
Bond Count [?]
All:30
Single:24
Double:6
Rotors:11
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.33
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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