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Chemical ID: 7684331
Chemical ID:
7684331
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(nc(s1)N(CC(C)C)C(=O)C2CC2)C
InChi [?]:
InChI=1/C15H22N2O3S/c1-5-20-14(19)12-10(4)16-15(21-12)17(8-9(2)3)13(18)11-6-7-11/h9,11H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,21,2,19,20,12,13,7,18,6,16,4,9,8,11,17,5,3,10/E:(2,3)(6,7)/rA:21nCCOCOCCNCSNCCCCCOCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;s12;s13;s13;s11;d16;s16;s18;s18s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7314 |
Area: | 512.121 |
Solvation: | -2.07164 |
Coulombic: | -42.3715 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.77 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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