Chemical ID: 4561491

CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3CN(C)CCc4ccccn4
Chemical ID:
4561491
Name [?]:
None
SMILES [?]:
CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3CN(C)CCc4ccccn4
InChi [?]:
InChI=1/C23H32N2O2/c1-16-7-6-10-23(2)14-21-18(13-20(16)23)19(22(26)27-21)15-25(3)12-9-17-8-4-5-11-24-17/h4-5,8,11,18-19,21H,6-7,9-10,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,19,24,25,10,11,23,21,9,26,20,4,7,17,2,22,5,16,3,6,14,8,27,18,15,13/rA:27cCCCCCCCCCCCCOCOCCNCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s3s7;s8;s9;s2s10;s8;s6;s13;d14;s5s14;s16;s17;s18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:5
ZAP Information [?]
Total:11.5108
Area:592.576
Solvation:-3.30363
Coulombic:-28.6579
Bond Count [?]
All:30
Single:25
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.512
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):3.06

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Descriptor Annotations

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