Chemical ID: 4617743

c1ccc2c(c1)cccc2NC(=O)NC3CCS(=O)(=O)C3
Chemical ID:
4617743
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1-(1-naphthyl)urea
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)NC3CCS(=O)(=O)C3
InChi [?]:
InChI=1/C15H16N2O3S/c18-15(16-12-8-9-21(19,20)10-12)17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12H,8-10H2,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,16,17,21,5,15,4,10,12,14,11,13,19,20,18/E:(19,20)/CRV:21.6/rA:21cCCCCCCCCCCNCONCCCSOOC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;s17;d18;d18;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.05892
Area:483.164
Solvation:-4.02019
Coulombic:-36.4375
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.365
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.12
LogP (Chemaxon):1.13

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Descriptor Annotations

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