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Chemical ID: 7663705
Chemical ID:
7663705
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)CSc1nc2c(c(c(s2)C)C)c(=O)n1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H22ClN3O2S2/c1-5-23(6-2)16(25)11-27-20-22-18-17(12(3)13(4)28-18)19(26)24(20)15-9-7-14(21)8-10-15/h7-10H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,18,17,2,4,24,26,23,27,8,14,15,25,22,6,13,12,19,10,28,11,3,21,7,20,9,16/E:(1,2)(5,6)(7,8)(9,10)/rA:28nCCNCCCOCSCNCCCCSCCCONCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;s13;d14;s12s15;s15;s14;s13;d19;s10s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22ClN3O2S2 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.3639 |
Area: | 648.826 |
Solvation: | -2.85676 |
Coulombic: | -40.1261 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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