Chemical ID: 4568092

c1ccc(cc1)C(C(=O)O)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
4568092
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C22H19NO6/c24-19(23-20(21(25)26)13-5-2-1-3-6-13)12-28-14-9-10-16-15-7-4-8-17(15)22(27)29-18(16)11-14/h1-3,5-6,9-11,20H,4,7-8,12H2,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,3,5,27,29,17,18,21,14,4,16,26,19,25,20,12,7,8,23,11,13,9,10,24,15,22/E:(2,3)(5,6)(25,26)/rA:29cCCCCCCCCOONCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s19d25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.83009
Area:612.006
Solvation:-6.47005
Coulombic:-74.6264
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.389
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.34
LogP (Chemaxon):3.12

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Descriptor Annotations

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