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Chemical ID: 7662981
Chemical ID:
7662981
Name [?]:
None
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)C3CCCCC3
InChi [?]:
InChI=1/C18H23N3O2S/c1-21-17(14-6-4-3-5-7-14)19-20-18(21)24-12-16(22)13-8-10-15(23-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,22,21,23,20,24,12,16,13,15,8,11,19,14,9,3,6,4,5,2,10,17,7/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCNCNNCSCCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s3;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O2S |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.285 |
Area: | 567.979 |
Solvation: | -3.91449 |
Coulombic: | -27.6511 |
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: | 5.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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