Chemical ID: 3855644

COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)OC
Chemical ID:
3855644
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)OC
InChi [?]:
InChI=1/C20H20N2O4S/c1-25-13-8-6-12(7-9-13)19-18-14-4-3-5-15(14)27-20(18)22(11-17(24)26-2)16(23)10-21-19/h6-9H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,21,22,20,5,7,4,8,11,23,6,3,17,18,12,24,16,9,15,10,14,13,25,2,26,19/E:(6,7)(8,9)/rA:27nCOCCCCCCCNCCONCCCCSCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;d12;s12;s14;s9d15;s16;d17;s15s18;s18;s20;s17s21;s14;s23;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.37018
Area:564.311
Solvation:-4.73758
Coulombic:-48.3303
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.06
LogP (Chemaxon):1.83

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