Chemical ID: 7679824

CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3c(cccc3Cl)F
Chemical ID:
7679824
Name [?]:
None
SMILES [?]:
CCSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3c(cccc3Cl)F
InChi [?]:
InChI=1/C15H13ClFN3O2S/c1-2-23-15-19-13-12(14(22)20-15)7(6-10(21)18-13)11-8(16)4-3-5-9(11)17/h3-5,7H,2,6H2,1H3,(H2,18,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,14,15,21,17,12,16,8,9,6,4,22,23,11,10,5,13,7,3/rA:23cCCSCNCOCCNNCOCCCCCCCCClF/rB:s1;s2;s3;s4;s5;d6;s6;d8;d4s9;s9;s11;d12;s12;s8s14;s15;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClFN3O2S
All Atoms:36
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:9.48852
Area:499.652
Solvation:-3.00276
Coulombic:-50.519
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.74
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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