Chemical ID: 5663566

C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccc(cc4)Cl
Chemical ID:
5663566
Name [?]:
None
SMILES [?]:
C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H15ClN4O2S/c1-2-11-24-18(27)15-5-3-4-6-16(15)25-19(24)22-23-20(25)28-12-17(26)13-7-9-14(21)10-8-13/h2-10H,1,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,23,27,24,26,3,19,22,25,7,12,20,5,14,17,28,15,16,4,13,21,6,18/E:(7,8)(9,10)/rA:28nCCCNCOCCCCCCNCNNCSCCOCCCCCCCl/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s15;s13d16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15ClN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4407
Area:618.305
Solvation:-3.0169
Coulombic:-41.4755
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.878
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.55
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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