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Chemical ID: 7679816
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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