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Chemical ID: 7727359
Chemical ID:
7727359
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CSc2nc3c(c(=O)n2C)SCC3
InChi [?]:
InChI=1/C18H19N3O4S2/c1-3-25-17(24)11-4-6-12(7-5-11)19-14(22)10-27-18-20-13-8-9-26-15(13)16(23)21(18)2/h4-7H,3,8-10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,11,8,10,27,26,15,6,9,19,13,20,21,4,17,12,18,23,14,22,5,3,25,16/E:(4,5)(6,7)/rA:27nCCOCOCCCCCCNCOCSCNCCCONCSCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;s20;d21;s17s21;s23;s20;s25;s19s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4S2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.512 |
Area: | 629.646 |
Solvation: | -4.2292 |
Coulombic: | -62.3603 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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