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Chemical ID: 7026926

CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CC4CCCO4

Chemical ID:

7026926

Name [?]:

N,N-diethyl-4-[2-phenylimino-3-(tetrahydrofuran-2-ylmethyl)thiazol-4-yl]-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(=Nc3ccccc3)n2CC4CCCO4

InChi [?]:

InChI=1/C24H29N3O3S2/c1-3-26(4-2)32(28,29)22-14-12-19(13-15-22)23-18-31-24(25-20-9-6-5-7-10-20)27(23)17-21-11-8-16-30-21/h5-7,9-10,12-15,18,21H,3-4,8,11,16-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,23,22,24,30,21,25,29,11,13,10,14,31,27,16,12,20,28,9,15,18,19,3,26,7,8,32,17,6/E:(1,2)(3,4)(6,7)(9,10)(12,13)(14,15)(28,29)/CRV:32.6/rA:32cCCNCCSOOCCCCCCCCSCNCCCCCCNCCCCCO/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s16;s17;w18;s19;s20;d21;s22;d23;d20s24;s15s18;s26;s27;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₃S₂
All Atoms:	61
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2848
Area:	607.229
Solvation:	-3.89596
Coulombic:	-29.7979

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.637
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.04
LogP (Chemaxon):	5.17

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