Chemical ID: 6841512

Cc1cc(=O)oc2c1ccc(c2)OC(C)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)[O-]
Chemical ID:
6841512
Name [?]:
3-(1H-indol-3-yl)-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoate
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OC(C)C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)[O-]
InChi [?]:
InChI=1/C24H22N2O6/c1-13-9-22(27)32-21-11-16(7-8-17(13)21)31-14(2)23(28)26-20(24(29)30)10-15-12-25-19-6-4-3-5-18(15)19/h3-9,11-12,14,20,25H,10H2,1-2H3,(H,26,28)(H,29,30)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,27,28,26,29,10,9,3,20,12,22,2,14,21,11,8,25,24,19,7,4,16,30,23,18,5,17,31,32,13,6/E:(29,30)/rA:32cCCCCOOCCCCCCOCCCONCCCCNCCCCCCCOO-/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s14;s14;d16;s16;s18;s19;s20;d21;s22;s23;s21s24;d25;s26;d27;d24s28;s19;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N2O6-
All Atoms:53
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:-31.3971
Area:647.077
Solvation:-47.574
Coulombic:-57.2771
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:433.433
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.68
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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