Chemical ID: 4561023

CC1=CCCC2(C1=CC3C(C2)OC(=O)C3CNCc4ccc(cc4)OC)C
Chemical ID:
4561023
Name [?]:
None
SMILES [?]:
CC1=CCCC2(C1=CC3C(C2)OC(=O)C3CNCc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C23H29NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h5-9,11,18-19,21,24H,4,10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,26,4,3,20,24,21,23,5,8,11,18,16,2,19,22,9,15,7,10,13,6,17,14,25,12/E:(6,7)(8,9)/rA:27cCCCCCCCCCCCOCOCCNCCCCCCCOCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;s9;s6s10;s10;s12;d13;s9s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:4
ZAP Information [?]
Total:9.63474
Area:564.618
Solvation:-4.48072
Coulombic:-35.7802
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.481
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.03
LogP (Chemaxon):3.17

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Descriptor Annotations

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