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Chemical ID: 7727411
Chemical ID:
7727411
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccc(c(c3)Cl)C)CCS2
InChi [?]:
InChI=1/C17H18ClN3O2S2/c1-3-21-16(23)15-13(6-7-24-15)20-17(21)25-9-14(22)19-11-5-4-10(2)12(18)8-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,16,23,24,20,11,18,15,19,7,12,6,4,9,21,14,8,3,13,5,25,10/rA:25nCCNCOCCNCSCCONCCCCCCClCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN3O2S2 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5688 |
Area: | 595.488 |
Solvation: | -3.31843 |
Coulombic: | -43.4581 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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