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Chemical ID: 7736097
Chemical ID:
7736097
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H21N3O4S/c1-3-15-4-6-17(7-5-15)23-21(25)16-12-18(14-22-13-16)24-29(26,27)20-10-8-19(28-2)9-11-20/h4-14,24H,3H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,2,4,8,5,7,24,26,23,27,13,17,15,3,12,6,14,25,22,10,16,9,18,11,20,21,28,19/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCNCNSOOCCCCCCOC/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;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O4S |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0351 |
Area: | 629.637 |
Solvation: | -4.70579 |
Coulombic: | -45.092 |
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: | 3.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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