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Chemical ID: 7063115
Chemical ID:
7063115
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCc3cccc4c3C2CC4
InChi [?]:
InChI=1/C19H20N2O3S/c1-13(22)20-16-6-8-17(9-7-16)25(23,24)21-12-11-15-4-2-3-14-5-10-18(21)19(14)15/h2-4,6-9,18H,5,10-12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,25,6,10,7,9,24,16,15,2,21,17,5,8,23,22,4,14,3,12,13,11/E:(6,7)(8,9)(23,24)/CRV:25.6/rA:25cCCONCCCCCCSOONCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;s14s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3S |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.54285 |
Area: | 512.376 |
Solvation: | -3.26656 |
Coulombic: | -27.2605 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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