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Chemical ID: 6336271
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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