Chemical ID: 3965930

CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)O)OC)OC)OC
Chemical ID:
3965930
Name [?]:
None
SMILES [?]:
CCC1CN2CCc3cc(c(cc3C2CC1CC4c5cc(c(cc5CCN4)O)OC)OC)OC
InChi [?]:
InChI=1/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,34,32,2,25,7,26,6,17,15,23,9,20,12,4,3,24,8,16,19,13,18,14,22,21,10,11,27,5,28,29,33,31/rA:34cCCCCNCCCCCCCCCCCCCCCCCCCCCNOOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;s14;s3s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s18s26;s22;s21;s29;s11;s31;s10;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H38N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:5
ZAP Information [?]
Total:9.08552
Area:682.624
Solvation:-7.98008
Coulombic:-51.2788
Bond Count [?]
All:38
Single:32
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.612
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.03
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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