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Chemical ID: 7027125

CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4

Chemical ID:

7027125

Name [?]:

N-[(4-isopropylphenyl)methyleneamino]-4-(4-morpholinosulfonylphenyl)-thiazol-2-amine

SMILES [?]:

CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4

InChi [?]:

InChI=1/C23H26N4O3S2/c1-17(2)19-5-3-18(4-6-19)15-24-26-23-25-22(16-31-23)20-7-9-21(10-8-20)32(28,29)27-11-13-30-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,3,6,8,5,9,19,23,20,22,28,32,29,31,10,16,2,7,4,18,21,15,13,11,14,12,27,25,26,30,17,24/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(28,29)/CRV:32.6/rA:32nCCCCCCCCCCNNCNCCSCCCCCCSOONCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;d24;d24;s24;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₃S₂
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3109
Area:	712.7
Solvation:	-4.50664
Coulombic:	-33.6216

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.61
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.27
LogP (Chemaxon):	5.13

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value