Chemical ID: 7679816

c1ccc(c(c1)CSc2[nH]c(=O)c3c(n2)NC(=O)CC3c4ccccc4Cl)Cl
Chemical ID:
7679816
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CSc2[nH]c(=O)c3c(n2)NC(=O)CC3c4ccccc4Cl)Cl
InChi [?]:
InChI=1/C20H15Cl2N3O2S/c21-14-7-3-1-5-11(14)10-28-20-24-18-17(19(27)25-20)13(9-16(26)23-18)12-6-2-4-8-15(12)22/h1-8,13H,9-10H2,(H2,23,24,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,24,6,22,3,25,19,7,5,21,20,4,26,17,13,14,11,9,28,27,16,15,10,18,12,8/rA:28cCCCCCCCSCNCOCCNNCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s11;d13;d9s14;s14;s16;d17;s17;s13s19;s20;s21;d22;s23;d24;d21s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15Cl2N3O2S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:12.1272
Area:608.938
Solvation:-3.09624
Coulombic:-48.918
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.29
LogP (Chemaxon):None

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Descriptor Annotations

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