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Chemical ID: 7736099
Chemical ID:
7736099
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H21N3O5S/c1-3-29-19-6-4-16(5-7-19)23-21(25)15-12-17(14-22-13-15)24-30(26,27)20-10-8-18(28-2)9-11-20/h4-14,24H,3H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,8,5,9,25,27,24,28,14,18,16,13,7,15,26,4,23,11,17,10,19,12,21,22,29,3,20/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:30.6/rA:30nCCOCCCCCCNCOCCCCNCNSOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O5S |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2336 |
Area: | 651.194 |
Solvation: | -6.04625 |
Coulombic: | -51.2636 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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