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Chemical ID: 7702980
Chemical ID:
7702980
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)C)C
InChi [?]:
InChI=1/C18H21ClN2O3S/c1-11(2)20-18(22)14-7-8-15(19)17(10-14)25(23,24)21-16-9-12(3)5-6-13(16)4/h5-11,21H,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,25,3,4,15,16,7,13,22,2,5,14,17,6,12,19,18,21,8,20,10,11,9/E:(1,2)(23,24)/CRV:25.6/rA:25nCCCCCCCNSOOCCCCCCClCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClN2O3S |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9409 |
Area: | 560.589 |
Solvation: | -3.0738 |
Coulombic: | -34.0762 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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