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Chemical ID: 4561191
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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