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Chemical ID: 7292118
Chemical ID:
7292118
Name [?]:
N-[2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCC(=O)NCCc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C21H22N2O3/c24-21(8-6-16-14-23-18-4-2-1-3-17(16)18)22-10-9-15-5-7-19-20(13-15)26-12-11-25-19/h1-5,7,13-14,23H,6,8-12H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,10,19,11,16,15,25,24,22,8,17,7,5,4,20,21,12,14,9,13,26,23/rA:26nCCCCCCCCNCCCONCCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4106 |
Area: | 588.625 |
Solvation: | -4.30504 |
Coulombic: | -48.4411 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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