Chemical ID: 4100797

CCOC(=O)c1c(oc2c1c3c(c4c2cccc4)OCN(C3)C(C)(C)C)C
Chemical ID:
4100797
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(oc2c1c3c(c4c2cccc4)OCN(C3)C(C)(C)C)C
InChi [?]:
InChI=1/C22H25NO4/c1-6-25-21(24)17-13(2)27-20-15-10-8-7-9-14(15)19-16(18(17)20)11-23(12-26-19)22(3,4)5/h7-10H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,27,24,25,26,2,17,16,18,15,22,20,7,13,14,11,6,10,12,9,4,23,21,5,3,19,8/E:(3,4,5)/rA:27cCCOCOCCOCCCCCCCCCCOCNCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s19;s20;s11s21;s21;s23;s23;s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1995
Area:545.14
Solvation:-3.42901
Coulombic:-40.1767
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.438
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):4.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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