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Chemical ID: 7736022
Chemical ID:
7736022
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C19H17N3O4S/c1-26-17-9-7-15(8-10-17)21-19(23)14-11-16(13-20-12-14)22-27(24,25)18-5-3-2-4-6-18/h2-13,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,5,7,4,8,13,17,15,12,6,14,3,22,10,16,9,18,11,20,21,2,19/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:27.6/rA:27nCOCCCCCCNCOCCCCNCNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O4S |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.91205 |
Area: | 584.658 |
Solvation: | -4.70439 |
Coulombic: | -45.2365 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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