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Chemical ID: 7736113
Chemical ID:
7736113
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H19N3O5S/c1-27-18-9-8-17(11-19(18)28-2)29(25,26)23-16-10-14(12-21-13-16)20(24)22-15-6-4-3-5-7-15/h3-13,23H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,27,26,28,25,29,5,4,16,7,18,20,17,24,15,6,3,8,21,19,23,14,22,12,13,2,9,11/E:(4,5)(6,7)(25,26)/CRV:29.6/rA:29nCOCCCCCCOCSOONCCCCNCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s17;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O5S |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.54523 |
Area: | 609.453 |
Solvation: | -6.69108 |
Coulombic: | -50.8562 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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