Chemical ID: 5681723

CC(C(=O)NC(=O)N)OC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccccc4
Chemical ID:
5681723
Name [?]:
None
SMILES [?]:
CC(C(=O)NC(=O)N)OC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccccc4
InChi [?]:
InChI=1/C24H21N3O4/c1-14(22(28)27-24(25)30)31-23(29)20-17-9-5-6-10-19(17)26-21-16(11-12-18(20)21)13-15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H3,25,27,28,30)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,15,16,27,31,14,17,23,22,25,2,26,24,13,21,18,12,20,3,10,6,8,19,5,4,11,7,9/E:(3,4)(7,8)/rA:31cCCCONCONOCOCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s6;s2;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s22;s20s23;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.87319
Area:621.03
Solvation:-5.65255
Coulombic:-72.1399
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:415.441
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.45
LogP (Chemaxon):3.36

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Descriptor Annotations

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