Chemical ID: 5307102

CC1(CCS(=O)(=O)C1)NC(=O)Nc2ccccc2OC
Chemical ID:
5307102
Name [?]:
3-(2-methoxyphenyl)-1-(3-methyl-1,1-dioxo-thiolan-3-yl)-urea
SMILES [?]:
CC1(CCS(=O)(=O)C1)NC(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C13H18N2O4S/c1-13(7-8-20(17,18)9-13)15-12(16)14-10-5-3-4-6-11(10)19-2/h3-6H,7-9H2,1-2H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,20,15,16,14,17,3,4,8,13,18,10,2,12,9,11,6,7,19,5/E:(17,18)/CRV:20.6/rA:20cCCCCSOOCNCONCCCCCCOC/rB:s1;s2;s3;s4;d5;d5;s2s5;s2;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.24053
Area:471.609
Solvation:-4.54969
Coulombic:-43.3657
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.359
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.18
LogP (Chemaxon):-0.05

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