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Chemical ID: 5591134
Chemical ID:
5591134
Name [?]:
N-(2,5-diethoxy-4-morpholino-phenyl)-4-(1-piperidylsulfonyl)benzamide
SMILES [?]:
CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4
InChi [?]:
InChI=1/C26H35N3O6S/c1-3-34-24-19-23(28-14-16-33-17-15-28)25(35-4-2)18-22(24)27-26(30)20-8-10-21(11-9-20)36(31,32)29-12-6-5-7-13-29/h8-11,18-19H,3-7,12-17H2,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:18,1,17,2,34,33,35,23,27,24,26,32,36,11,15,12,14,5,8,22,25,6,9,7,4,20,19,10,31,21,29,30,13,16,3,28/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(31,32)/CRV:36.6/rA:36nCCOCCCCCCNCCOCCOCCNCOCCCCCCSOONCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s7;s16;s17;s6;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;d28;d28;s28;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H35N3O6S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.087 |
Area: | 760.773 |
Solvation: | -6.93234 |
Coulombic: | -57.6744 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 517.639 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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