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Chemical ID: 4758052
Chemical ID:
4758052
Name [?]:
None
SMILES [?]:
CCOC(=O)N1CCc2c(sc3c2c(=O)n(cn3)CC(=O)N)C1
InChi [?]:
InChI=1/C14H16N4O4S/c1-2-22-14(21)17-4-3-8-9(5-17)23-12-11(8)13(20)18(7-16-12)6-10(15)19/h7H,2-6H2,1H3,(H2,15,19)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,23,19,17,9,10,20,13,12,14,4,22,18,6,16,21,15,5,3,11/rA:23nCCOCONCCCCSCCCONCNCCONC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;s9d12;s13;d14;s14;s16;s12d17;s16;s19;d20;s20;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72556 |
Area: | 518.316 |
Solvation: | -4.23233 |
Coulombic: | -74.2831 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.63 |
LogP (Chemaxon): | -0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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