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Chemical ID: 7727462
Chemical ID:
7727462
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)C(=O)CSc2nc3c(c(=O)n2CCOC)SCC3
InChi [?]:
InChI=1/C17H25N3O3S2/c1-12-3-6-19(7-4-12)14(21)11-25-17-18-13-5-10-24-15(13)16(22)20(17)8-9-23-2/h12H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,3,7,25,4,6,19,20,24,10,2,14,8,15,16,12,13,5,18,9,17,21,23,11/E:(3,4)(6,7)/rA:25nCCCCNCCCOCSCNCCCONCCOCSCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;s15;d16;s12s16;s18;s19;s20;s21;s15;s23;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O3S2 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.9645 |
Area: | 582.283 |
Solvation: | -4.59257 |
Coulombic: | -45.8802 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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