Chemical ID: 6336271

Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2
Chemical ID:
6336271
Name [?]:
3-(p-tolylsulfonylamino)propyl 4-pyridylaminoformate
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2
InChi [?]:
InChI=1/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,20,24,12,21,23,14,2,19,5,16,22,11,18,17,9,10,15,8/E:(3,4)(5,6)(7,8)(10,11)(21,22)/CRV:24.6/rA:24nCCCCCCCSOONCCCOCONCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6738
Area:578.131
Solvation:-3.77948
Coulombic:-49.3215
Bond Count [?]
All:25
Single:16
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.406
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.65
LogP (Chemaxon):1.95

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