Chemical ID: 4807263

c1ccc(cc1)NC(=O)NCC2CCS(=O)(=O)C2
Chemical ID:
4807263
Name [?]:
3-[(1,1-dioxothiolan-3-yl)methyl]-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)NCC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C12H16N2O3S/c15-12(14-11-4-2-1-3-5-11)13-8-10-6-7-18(16,17)9-10/h1-5,10H,6-9H2,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,18,12,4,8,10,7,9,16,17,15/E:(2,3)(4,5)(16,17)/CRV:18.6/rA:18cCCCCCCNCONCCCCSOOC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;d15;d15;s12s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.21302
Area:454.839
Solvation:-4.15795
Coulombic:-35.4275
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.333
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.05
LogP (Chemaxon):0.25

Name Annotations

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Descriptor Annotations

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