Chemical ID: 6800157

CCOC(=O)c1ccc2c(c1)NC(=O)c3ccccc3S2
Chemical ID:
6800157
Name [?]:
None
SMILES [?]:
CCOC(=O)c1ccc2c(c1)NC(=O)c3ccccc3S2
InChi [?]:
InChI=1/C16H13NO3S/c1-2-20-16(19)10-7-8-14-12(9-10)17-15(18)11-5-3-4-6-13(11)21-14/h3-9H,2H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,19,7,8,11,6,15,10,20,9,13,4,12,14,5,3,21/rA:21nCCOCOCCCCCCNCOCCCCCCS/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO3S
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.68695
Area:479.98
Solvation:-2.31256
Coulombic:-43.2666
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.345
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.45

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Descriptor Annotations

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