Chemical ID: 4807289

COC(=O)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCO
Chemical ID:
4807289
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCO
InChi [?]:
InChI=1/C22H19NO6/c1-28-22(27)14-9-7-13(8-10-14)18-17-19(25)15-5-2-3-6-16(15)29-20(17)21(26)23(18)11-4-12-24/h2-3,5-10,18,24H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,27,16,19,7,9,6,10,26,28,8,5,15,20,12,11,13,22,23,3,25,29,14,24,4,2,21/E:(7,8)(9,10)/rA:29cCOCOCCCCCCCCCOCCCCCCOCCONCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.98513
Area:610.284
Solvation:-5.27197
Coulombic:-71.5414
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.01
LogP (Chemaxon):1.81

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Descriptor Annotations

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