Chemical ID: 4482789

c1cc2c(cc1NC(=O)CC3C(=O)NC4CCCCC4N3)OCO2
Chemical ID:
4482789
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)-acetamide
SMILES [?]:
c1cc2c(cc1NC(=O)CC3C(=O)NC4CCCCC4N3)OCO2
InChi [?]:
InChI=1/C17H21N3O4/c21-16(18-10-5-6-14-15(7-10)24-9-23-14)8-13-17(22)20-12-4-2-1-3-11(12)19-13/h5-7,11-13,19H,1-4,8-9H2,(H,18,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,1,2,5,10,23,6,20,15,11,3,4,8,12,7,21,14,9,13,24,22/rA:24cCCCCCCNCOCCCONCCCCCCNOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s11s20;s4;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:8.60804
Area:512.861
Solvation:-4.21348
Coulombic:-65.3977
Bond Count [?]
All:27
Single:22
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.366
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.84
LogP (Chemaxon):0.94

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Descriptor Annotations

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