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Chemical ID: 3951169
Chemical ID:
3951169
Name [?]:
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CC1C(=O)N(c2ccccc2O1)CC(=O)NCc3ccc(cc3)OC
InChi [?]:
InChI=1/C19H20N2O4/c1-13-19(23)21(16-5-3-4-6-17(16)25-13)12-18(22)20-11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,8,9,7,10,19,23,20,22,17,13,2,18,21,6,11,14,3,16,5,15,4,24,12/E:(7,8)(9,10)/rA:25cCCCONCCCCCCOCCONCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s5;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.79684 |
Area: | 551.927 |
Solvation: | -5.00133 |
Coulombic: | -54.327 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.12 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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