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Chemical ID: 7702961
Chemical ID:
7702961
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)NC(C)(C)C)C
InChi [?]:
InChI=1/C19H23ClN2O3S/c1-12-6-7-13(2)16(10-12)22-26(24,25)17-11-14(8-9-15(17)20)18(23)21-19(3,4)5/h6-11,22H,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,3,4,15,16,7,13,2,5,14,17,6,12,19,22,18,21,8,20,10,11,9/E:(3,4,5)(24,25)/CRV:26.6/rA:26nCCCCCCCNSOOCCCCCCClCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s22;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23ClN2O3S |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2345 |
Area: | 568.784 |
Solvation: | -2.98506 |
Coulombic: | -34.1409 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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