Chemical ID: 4905796

CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(cc3)OC)OC)OC)OC
Chemical ID:
4905796
Name [?]:
None
SMILES [?]:
CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(cc3)OC)OC)OC)OC
InChi [?]:
InChI=1/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,27,25,23,7,18,19,6,9,16,2,8,17,14,15,5,10,13,11,12,4,3,20,26,24,22/rA:27cCCONCCCCCCCCCCCCCCCOCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5s14;d15;s16;d17;d14s18;s17;s20;s12;s22;s11;s24;s10;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:6.59937
Area:558.916
Solvation:-7.37352
Coulombic:-49.4233
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.427
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.92
LogP (Chemaxon):2.11

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Descriptor Annotations

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