Chemical ID: 7723813

CCOc1cccc2c1n(c(=NC(=O)C3CC3)s2)CC=C
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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