Chemical ID: 7723931

CCOc1cccc2c1n(c(=NC(=O)c3ccc(c(c3)OC)OC)s2)CC#C
Chemical ID:
7723931
Name [?]:
None
SMILES [?]:
CCOc1cccc2c1n(c(=NC(=O)c3ccc(c(c3)OC)OC)s2)CC#C
InChi [?]:
InChI=1/C21H20N2O4S/c1-5-12-23-19-16(27-6-2)8-7-9-18(19)28-21(23)22-20(24)14-10-11-15(25-3)17(13-14)26-4/h1,7-11,13H,6,12H2,2-4H3
InChi Info:
AuxInfo=1/0/N:28,1,24,22,27,2,6,5,7,16,17,26,20,15,18,4,19,8,9,13,11,12,10,14,23,21,3,25/rA:28nCCOCCCCCCNCNCOCCCCCCOCOCSCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s8s11;s10;s26;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.02528
Area:612.174
Solvation:-6.27906
Coulombic:-48.125
Bond Count [?]
All:30
Single:21
Double:8
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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