Chemical ID: 7382629

c1cc(oc1)C(=O)N2CCN(CC2)C(=O)CC3C(=O)NC4CCCCC4N3
Chemical ID:
7382629
Name [?]:
3-[[4-(2-furylcarbonyl)piperazin-1-yl]carbonylmethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
SMILES [?]:
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)CC3C(=O)NC4CCCCC4N3
InChi [?]:
InChI=1/C19H26N4O4/c24-17(12-15-18(25)21-14-5-2-1-4-13(14)20-15)22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h3,6,11,13-15,20H,1-2,4-5,7-10,12H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:24,23,1,25,22,2,10,12,9,13,5,16,26,21,17,3,14,18,6,27,20,11,8,15,19,7,4/E:(7,8)(9,10)/rA:27cCCCOCCONCCNCCCOCCCONCCCCCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;s17s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N4O4
All Atoms:53
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:10.3368
Area:571.724
Solvation:-3.95628
Coulombic:-70.8779
Bond Count [?]
All:30
Single:25
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.434
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.49
LogP (Chemaxon):-0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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