Chemical ID: 4561191

CCOC(=O)N1CCN(CC1)CC(=O)N2CCc3c(c4ccccc4[nH]3)C2
Chemical ID:
4561191
Name [?]:
None
SMILES [?]:
CCOC(=O)N1CCN(CC1)CC(=O)N2CCc3c(c4ccccc4[nH]3)C2
InChi [?]:
InChI=1/C20H26N4O3/c1-2-27-20(26)23-11-9-22(10-12-23)14-19(25)24-8-7-18-16(13-24)15-5-3-4-6-17(15)21-18/h3-6,21H,2,7-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,23,21,24,17,16,8,10,7,11,27,12,20,19,25,18,13,4,26,9,6,15,14,5,3/E:(9,10)(11,12)/rA:27nCCOCONCCNCCCCONCCCCCCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;s18s25;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5444
Area:590.694
Solvation:-4.22294
Coulombic:-60.3735
Bond Count [?]
All:30
Single:24
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.446
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.04
LogP (Chemaxon):1.12

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Descriptor Annotations

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