Chemical ID: 4556405

CCc1cc2c(=O)c(coc2c(c1O)CN(C)C)c3ccc4c(c3)OCCO4
Chemical ID:
4556405
Name [?]:
8-(dimethylaminomethyl)-3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-6-ethyl-7-hydroxy-chromen-4-one
SMILES [?]:
CCc1cc2c(=O)c(coc2c(c1O)CN(C)C)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C22H23NO5/c1-4-13-9-15-21(25)17(12-28-22(15)16(20(13)24)11-23(2)3)14-5-6-18-19(10-14)27-8-7-26-18/h5-6,9-10,12,24H,4,7-8,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,2,20,21,27,26,4,24,15,9,3,19,5,12,8,22,23,13,6,11,16,14,7,28,25,10/E:(2,3)/rA:28nCCCCCCOCCOCCCOCNCCCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;s6;d8;s9;s5s10;d11;d3s12;s13;s12;s15;s16;s16;s8;s19;d20;s21;d22;d19s23;s23;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.2239
Area:577.557
Solvation:-5.21503
Coulombic:-53.004
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.422
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.19
LogP (Chemaxon):3.64

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Descriptor Annotations

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