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Chemical ID: 7727396
Chemical ID:
7727396
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc1SCC(=O)Nc3ccccc3)CCS2
InChi [?]:
InChI=1/C16H17N3O2S2/c1-2-19-15(21)14-12(8-9-22-14)18-16(19)23-10-13(20)17-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,16,20,21,22,11,15,7,12,6,4,9,14,8,3,13,5,23,10/E:(4,5)(6,7)/rA:23nCCNCOCCNCSCCONCCCCCCCCS/rB:s1;s2;s3;d4;s4;d6;s7;s3d8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s7;s21;s6s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2S2 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.216 |
Area: | 543.137 |
Solvation: | -3.36237 |
Coulombic: | -43.4684 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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