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Chemical ID: 7357563
Chemical ID:
7357563
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonylamino)-N-(4-morpholinophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)OCCO5
InChi [?]:
InChI=1/C25H25N3O6S/c29-25(26-19-5-7-21(8-6-19)28-11-13-32-14-12-28)18-1-3-20(4-2-18)27-35(30,31)22-9-10-23-24(17-22)34-16-15-33-23/h1-10,17,27H,11-16H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,15,12,14,27,28,17,21,18,20,34,33,31,6,10,3,13,26,29,30,7,9,22,16,8,24,25,19,35,32,23/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(30,31)/CRV:35.6/rA:35nCCCCCCCONCCCCCCNCCOCCNSOOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s16s20;s3;s22;d23;d23;s23;s26;d27;s28;d29;d26s30;s30;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25N3O6S |
All Atoms: | 60 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0157 |
Area: | 708.019 |
Solvation: | -6.6848 |
Coulombic: | -63.1749 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 495.549 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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