Chemical ID: 4797846

COc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CC=C
Chemical ID:
4797846
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CC=C
InChi [?]:
InChI=1/C22H19NO5/c1-4-11-23-19(13-9-10-16(26-2)17(12-13)27-3)18-20(24)14-7-5-6-8-15(14)28-21(18)22(23)25/h4-10,12,19H,1,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:28,1,10,27,17,18,16,19,5,4,26,7,6,15,20,3,8,12,11,13,22,23,25,14,24,2,9,21/rA:28cCOCCCCCCOCCCCOCCCCCCOCCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.98106
Area:575.749
Solvation:-6.41266
Coulombic:-50.4008
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.39
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):2.89

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Descriptor Annotations

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