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Chemical ID: 7027039
Chemical ID:
7027039
Name [?]:
N,N-dimethyl-4-[3-(3-morpholinopropyl)-2-phenylimino-thiazol-4-yl]-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CCCN4CCOCC4
InChi [?]:
InChI=1/C24H30N4O3S2/c1-26(2)33(29,30)22-11-9-20(10-12-22)23-19-32-24(25-21-7-4-3-5-8-21)28(23)14-6-13-27-15-17-31-18-16-27/h3-5,7-12,19H,6,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,26,19,23,9,11,8,12,27,25,29,33,30,32,14,10,18,7,13,16,17,2,28,24,5,6,31,15,4/E:(1,2)(4,5)(7,8)(9,10)(11,12)(15,16)(17,18)(29,30)/CRV:33.6/rA:33nCNCSOOCCCCCCCCSCNCCCCCCNCCCNCCOCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;w16;s17;s18;d19;s20;d21;d18s22;s13s16;s24;s25;s26;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O3S2 |
All Atoms: | 63 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8087 |
Area: | 665.24 |
Solvation: | -4.82226 |
Coulombic: | -34.3553 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.652 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.94 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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