Chemical ID: 4418531

CCc1c(c2ccc(cc2oc1=O)OCC(=O)Nc3ccc(cc3)OC(C)C)C
Chemical ID:
4418531
Name [?]:
2-(3-ethyl-4-methyl-2-oxo-chromen-7-yl)oxy-N-(4-isopropoxyphenyl)-acetamide
SMILES [?]:
CCc1c(c2ccc(cc2oc1=O)OCC(=O)Nc3ccc(cc3)OC(C)C)C
InChi [?]:
InChI=1/C23H25NO5/c1-5-19-15(4)20-11-10-18(12-21(20)29-23(19)26)27-13-22(25)24-16-6-8-17(9-7-16)28-14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,20,24,21,23,7,6,9,15,26,4,19,22,8,3,5,10,16,12,18,17,13,14,25,11/E:(2,3)(6,7)(8,9)/rA:29nCCCCCCCCCCOCOOCCONCCCCCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.58815
Area:636.137
Solvation:-6.31528
Coulombic:-53.8557
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.78

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Descriptor Annotations

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