Chemical ID: 7308225

CCOc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)c4c(s3)CCCC4
Chemical ID:
7308225
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)c4c(s3)CCCC4
InChi [?]:
InChI=1/C20H20N2O3S/c1-2-25-14-9-7-13(8-10-14)16(23)11-22-12-21-19-18(20(22)24)15-5-3-4-6-17(15)26-19/h7-10,12H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,24,26,23,6,8,5,9,12,14,7,4,20,10,21,17,16,18,15,13,11,19,3,22/E:(7,8)(9,10)/rA:26nCCOCCCCCCCOCNCNCCCOCCSCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.86359
Area:569.9
Solvation:-4.38392
Coulombic:-37.4352
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.22
LogP (Chemaxon):2.94

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Experimental Annotations

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Descriptor Annotations

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