Chemical ID: 5583986

Cc1csc(n1)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
5583986
Name [?]:
None
SMILES [?]:
Cc1csc(n1)NC(=O)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C18H16N2O4S/c1-10-9-25-18(19-10)20-16(21)8-23-11-5-6-13-12-3-2-4-14(12)17(22)24-15(13)7-11/h5-7,9H,2-4,8H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,13,14,17,10,3,2,12,22,15,21,16,8,19,5,6,7,9,20,11,18,4/rA:25nCCCSCNNCOCOCCCCCCOCOCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s15d21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.95824
Area:550.188
Solvation:-5.79647
Coulombic:-50.323
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):3.2

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