Chemical ID: 4567362

CCC(C)C(C(=O)O)NC(=O)C(C)Oc1cc(cc2c1c3c(c(=O)o2)CCC3)C
Chemical ID:
4567362
Name [?]:
None
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)C(C)Oc1cc(cc2c1c3c(c(=O)o2)CCC3)C
InChi [?]:
InChI=1/C22H27NO6/c1-5-12(3)19(21(25)26)23-20(24)13(4)28-16-9-11(2)10-17-18(16)14-7-6-8-15(14)22(27)29-17/h9-10,12-13,19H,5-8H2,1-4H3,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,4,13,2,27,28,26,16,18,17,3,12,21,22,15,19,20,5,10,6,23,9,11,7,8,24,14,25/E:(25,26)/rA:29cCCCCCCOONCOCCOCCCCCCCCCOOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;d23;s19s23;s22;s26;s21s27;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:10.138
Area:613.447
Solvation:-5.19816
Coulombic:-75.0477
Bond Count [?]
All:31
Single:24
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.453
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):3.96

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Descriptor Annotations

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