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Chemical ID: 6808667
Chemical ID:
6808667
Name [?]:
N-isopentyl-2-(3-oxo-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-2-yl)-acetamide
SMILES [?]:
CC(C)CCNC(=O)CN1c2ccccc2C(=NCC1=O)c3ccccc3
InChi [?]:
InChI=1/C22H25N3O2/c1-16(2)12-13-23-20(26)15-25-19-11-7-6-10-18(19)22(24-14-21(25)27)17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,26,14,13,23,27,15,12,4,5,19,9,2,22,16,11,7,20,17,6,18,10,8,21/E:(1,2)(4,5)(8,9)/rA:27nCCCCCNCOCNCCCCCCCNCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s10s19;d20;s17;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O2 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.321 |
Area: | 589.057 |
Solvation: | -3.40545 |
Coulombic: | -46.0574 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 363.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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