Chemical ID: 4559771

COc1ccc(cc1CN2CCOCC2)C3c4c(c5ccccc5[nH]4)CCN3
Chemical ID:
4559771
Name [?]:
None
SMILES [?]:
COc1ccc(cc1CN2CCOCC2)C3c4c(c5ccccc5[nH]4)CCN3
InChi [?]:
InChI=1/C23H27N3O2/c1-27-21-7-6-16(14-17(21)15-26-10-12-28-13-11-26)22-23-19(8-9-24-22)18-4-2-3-5-20(18)25-23/h2-7,14,22,24-25H,8-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,23,5,4,26,27,11,15,12,14,7,9,6,8,19,18,24,3,16,17,28,25,10,2,13/E:(10,11)(12,13)/rA:28cCOCCCCCCCNCCOCCCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s6;s16;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s18;s26;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.68671
Area:586.276
Solvation:-4.97018
Coulombic:-40.8885
Bond Count [?]
All:32
Single:25
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:377.479
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):2.86

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Descriptor Annotations

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