Chemical ID: 6808667

CC(C)CCNC(=O)CN1c2ccccc2C(=NCC1=O)c3ccccc3
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

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Descriptor Annotations

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