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Chemical ID: 7074195

c1cc(cc(c1)S(=O)(=O)N2CCOCC2)c3csc(n3)NN=Cc4ccc(cc4)Cl

Chemical ID:

7074195

Name [?]:

N-[(4-chlorophenyl)methyleneamino]-4-(3-morpholinosulfonylphenyl)-thiazol-2-amine

SMILES [?]:

c1cc(cc(c1)S(=O)(=O)N2CCOCC2)c3csc(n3)NN=Cc4ccc(cc4)Cl

InChi [?]:

InChI=1/C20H19ClN4O3S2/c21-17-6-4-15(5-7-17)13-22-24-20-23-19(14-29-20)16-2-1-3-18(12-16)30(26,27)25-8-10-28-11-9-25/h1-7,12-14H,8-11H2,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,25,29,26,28,11,15,12,14,4,23,17,24,3,27,5,16,19,30,22,20,21,10,8,9,13,18,7/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:30.6/rA:30nCCCCCCSOONCCOCCCCSCNNNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s3;d16;s17;s18;s16d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉ClN₄O₃S₂
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4005
Area:	678.338
Solvation:	-4.55793
Coulombic:	-33.1802

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	462.975
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.49
LogP (Chemaxon):	4.45

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

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Chemical Mix	Source	External ID	Descriptor	Value