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Chemical ID: 5973258
Chemical ID:
5973258
Name [?]:
N-(1,2-dimethylpropyl)-4-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]benzamide
SMILES [?]:
CC(C)C(C)NC(=O)c1ccc(cc1)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C21H24N2O3/c1-14(2)15(3)22-21(25)17-10-8-16(9-11-17)12-23-18-6-4-5-7-19(18)26-13-20(23)24/h4-11,14-15H,12-13H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,5,19,20,18,21,11,13,10,14,15,24,2,4,12,9,17,22,25,7,6,16,26,8,23/E:(1,2)(8,9)(10,11)/rA:26cCCCCCNCOCCCCCCCNCCCCCCOCCO/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7433 |
Area: | 569.214 |
Solvation: | -3.48708 |
Coulombic: | -49.0377 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.45 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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