Chemical ID: 4563591

Cc1ccc(cc1)CN2CC(=O)N3CCc4c5ccccc5[nH]c4C3(C2=O)C
Chemical ID:
4563591
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2CC(=O)N3CCc4c5ccccc5[nH]c4C3(C2=O)C
InChi [?]:
InChI=1/C23H23N3O2/c1-15-7-9-16(10-8-15)13-25-14-20(27)26-12-11-18-17-5-3-4-6-19(17)24-21(18)23(26,2)22(25)28/h3-10,24H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,19,20,18,21,3,7,4,6,15,14,8,10,2,5,17,16,22,11,24,26,25,23,9,13,12,27/E:(7,8)(9,10)/rA:28cCCCCCCCCNCCONCCCCCCCCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s13s24;s9s25;d26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.0074
Area:556.553
Solvation:-2.9064
Coulombic:-47.5816
Bond Count [?]
All:32
Single:23
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:373.448
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.91

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Descriptor Annotations

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