Chemical ID: 5507319

CC(C(=O)Nc1ccc(cc1)C(=O)C)Sc2nc3c(c4ccccc4n3CC=C)nn2
Chemical ID:
5507319
Name [?]:
None
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)C(=O)C)Sc2nc3c(c4ccccc4n3CC=C)nn2
InChi [?]:
InChI=1/C23H21N5O2S/c1-4-13-28-19-8-6-5-7-18(19)20-21(28)25-23(27-26-20)31-15(3)22(30)24-17-11-9-16(10-12-17)14(2)29/h4-12,15H,1,13H2,2-3H3,(H,24,30)
InChi Info:
AuxInfo=1/1/N:29,14,1,28,22,23,21,24,8,10,7,11,27,12,2,9,6,20,25,19,18,3,16,5,17,30,31,26,13,4,15/E:(9,10)(11,12)/rA:31cCCCONCCCCCCCOCSCNCCCCCCCCNCCCNN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s2;s15;s16;d17;s18;s19;s20;d21;s22;d23;d20s24;s18s25;s26;s27;d28;d19;d16s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.9096
Area:669.832
Solvation:-3.83621
Coulombic:-48.732
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.511
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):4.14

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Descriptor Annotations

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