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Chemical ID: 7736115
Chemical ID:
7736115
Name [?]:
None
SMILES [?]:
c1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C20H17N3O5S/c24-20(22-15-4-2-1-3-5-15)14-10-16(13-21-12-14)23-29(25,26)17-6-7-18-19(11-17)28-9-8-27-18/h1-7,10-13,23H,8-9H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,22,28,27,11,25,15,13,10,4,12,20,23,24,8,14,7,16,9,18,19,29,26,17/E:(2,3)(4,5)(25,26)/CRV:29.6/rA:29nCCCCCCNCOCCCCNCNSOOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s12;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;s24;s26;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O5S |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.99631 |
Area: | 602.269 |
Solvation: | -5.06043 |
Coulombic: | -53.2848 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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