Chemical ID: 7317752

CCOC(=O)c1c(nc(s1)NC(=O)Cc2coc3c2c4ccccc4cc3)C
Chemical ID:
7317752
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(nc(s1)NC(=O)Cc2coc3c2c4ccccc4cc3)C
InChi [?]:
InChI=1/C21H18N2O4S/c1-3-26-20(25)19-12(2)22-21(28-19)23-17(24)10-14-11-27-16-9-8-13-6-4-5-7-15(13)18(14)16/h4-9,11H,3,10H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,2,23,22,24,21,26,27,14,16,7,25,15,20,18,12,19,6,4,9,8,11,13,5,3,17,10/rA:28nCCOCOCCNCSNCOCCCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;d15;s16;s17;s15s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O4S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.499
Area:601.046
Solvation:-4.52714
Coulombic:-52.1532
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.445
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.1
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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