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Chemical ID: 7074120

c1ccc(c(c1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCC4)Cl

Chemical ID:

7074120

Name [?]:

N-[(2-chlorophenyl)methyleneamino]-4-(3-pyrrolidin-1-ylsulfonylphenyl)-thiazol-2-amine

SMILES [?]:

c1ccc(c(c1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCC4)Cl

InChi [?]:

InChI=1/C20H19ClN4O2S2/c21-18-9-2-1-6-16(18)13-22-24-20-23-19(14-28-20)15-7-5-8-17(12-15)29(26,27)25-10-3-4-11-25/h1-2,5-9,12-14H,3-4,10-11H2,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,26,27,17,6,16,18,3,25,28,20,7,13,15,5,19,4,12,10,29,8,11,9,24,22,23,14,21/E:(3,4)(10,11)(26,27)/CRV:29.6/rA:29nCCCCCCCNNCNCCSCCCCCCSOONCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s19;d21;d21;s21;s24;s25;s26;s24s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉ClN₄O₂S₂
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3296
Area:	664.679
Solvation:	-3.28734
Coulombic:	-25.4693

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	446.975
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.39
LogP (Chemaxon):	5.12

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