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Chemical ID: 6739037
Chemical ID:
6739037
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3,5-dimethylphenyl)-azanide
SMILES [?]:
Cc1cc(cc(c1)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C)C
InChi [?]:
InChI=1/C18H19N2O3S/c1-12-8-13(2)10-16(9-12)19-24(22,23)17-4-5-18-15(11-17)6-7-20(18)14(3)21/h4-5,8-11H,6-7H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,23,13,14,18,19,3,7,5,17,2,4,21,16,6,12,15,8,20,22,10,11,9/E:(1,2)(9,10)(12,13)(22,23)/CRV:19-1,24.6/rA:24nCCCCCCCN-SOOCCCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s20;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N2O3S- |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.2477 |
Area: | 539.262 |
Solvation: | -36.7292 |
Coulombic: | 13.4725 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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