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Chemical ID: 7027029

c1ccc(cc1)N=c2n(c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5

Chemical ID:

7027029

Name [?]:

3-(2-morpholinoethyl)-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]-thiazol-2-imine

SMILES [?]:

c1ccc(cc1)N=c2n(c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5

InChi [?]:

InChI=1/C26H32N4O3S2/c31-35(32,29-13-5-2-6-14-29)24-11-9-22(10-12-24)25-21-34-26(27-23-7-3-1-4-8-23)30(25)16-15-28-17-19-33-20-18-28/h1,3-4,7-12,21H,2,5-6,13-20H2

InChi Info:

AuxInfo=1/0/N:1,25,2,6,24,26,3,5,14,18,15,17,23,27,29,28,31,35,32,34,11,13,4,16,10,8,7,30,22,9,20,21,33,12,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(17,18)(19,20)(31,32)/CRV:35.6/rA:35nCCCCCCNCNCCSCCCCCCSOONCCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s24;s25;s22s26;s9;s28;s29;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₃S₂
All Atoms:	67
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3196
Area:	678.034
Solvation:	-4.63127
Coulombic:	-35.0982

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	512.689
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.16
LogP (Chemaxon):	4.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value