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Chemical ID: 7723813
Chemical ID:
7723813
Name [?]:
None
SMILES [?]:
CCOc1cccc2c1n(c(=NC(=O)C3CC3)s2)CC=C
InChi [?]:
InChI=1/C16H18N2O2S/c1-3-10-18-14-12(20-4-2)6-5-7-13(14)21-16(18)17-15(19)11-8-9-11/h3,5-7,11H,1,4,8-10H2,2H3
InChi Info:
AuxInfo=1/0/N:21,1,20,2,6,5,7,16,17,19,15,4,8,9,13,11,12,10,14,3,18/E:(8,9)/rA:21nCCOCCCCCCNCNCOCCCSCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;w11;s12;d13;s13;s15;s15s16;s8s11;s10;s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.78403 |
Area: | 497.052 |
Solvation: | -2.64227 |
Coulombic: | -32.6068 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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