Chemical ID: 4563898

CC(C)OCCCN1CC(=O)N2CCc3c4ccccc4[nH]c3C2(C1=O)C
Chemical ID:
4563898
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1CC(=O)N2CCc3c4ccccc4[nH]c3C2(C1=O)C
InChi [?]:
InChI=1/C21H27N3O3/c1-14(2)27-12-6-10-23-13-18(25)24-11-9-16-15-7-4-5-8-17(15)22-19(16)21(24,3)20(23)26/h4-5,7-8,14,22H,6,9-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,27,18,19,6,17,20,14,7,13,5,9,2,16,15,21,10,23,25,24,22,8,12,11,26,4/E:(1,2)/rA:27cCCCOCCCNCCONCCCCCCCCCNCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s12s23;s8s24;d25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3354
Area:582.115
Solvation:-4.21742
Coulombic:-53.7009
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.7
LogP (Chemaxon):1.3

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Descriptor Annotations

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