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Chemical ID: 7063130
Chemical ID:
7063130
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2Cc3cccc4c3C(C2)N(CC4)C
InChi [?]:
InChI=1/C20H23N3O3S/c1-14(24)21-17-6-8-18(9-7-17)27(25,26)23-12-16-5-3-4-15-10-11-22(2)19(13-23)20(15)16/h3-9,19H,10-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,27,18,19,17,6,10,7,9,26,25,15,23,2,20,16,5,8,22,21,4,24,14,3,12,13,11/E:(6,7)(8,9)(25,26)/CRV:27.6/rA:27cCCONCCCCCCSOONCCCCCCCCCNCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;s22;s24;s20s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3S |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.3557 |
Area: | 562.903 |
Solvation: | -3.71689 |
Coulombic: | -32.1675 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.56 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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