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Chemical ID: 7706391
Chemical ID:
7706391
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c(sc1NC(=O)c2csc3c2CCCC3)C)C
InChi [?]:
InChI=1/C18H21NO3S2/c1-4-22-18(21)15-10(2)11(3)24-17(15)19-16(20)13-9-23-14-8-6-5-7-12(13)14/h9H,4-8H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,20,21,19,22,15,7,8,18,14,17,6,12,10,4,11,13,5,3,16,9/rA:24nCCOCOCCCSCNCOCCSCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;d14;s15;s16;s14d17;s18;s19;s20;s17s21;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3S2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5894 |
Area: | 566.732 |
Solvation: | -2.57889 |
Coulombic: | -41.3348 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.85 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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