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Chemical ID: 6234282

CCn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C4CCCCC4)OCC

Chemical ID:

6234282

Name [?]:

4-(cyclohexyl-methyl-sulfamoyl)-N-(6-ethoxy-3-ethyl-benzothiazol-2-ylidene)-benzamide

SMILES [?]:

CCn1c2ccc(cc2sc1=NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C4CCCCC4)OCC

InChi [?]:

InChI=1/C25H31N3O4S2/c1-4-28-22-16-13-20(32-5-2)17-23(22)33-25(28)26-24(29)18-11-14-21(15-12-18)34(30,31)27(3)19-9-7-6-8-10-19/h11-17,19H,4-10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,34,25,2,33,29,28,30,27,31,16,20,6,17,19,5,8,15,26,7,18,4,9,13,11,12,24,3,14,22,23,32,10,21/E:(7,8)(9,10)(11,12)(14,15)(30,31)/CRV:34.6/rA:34cCCNCCCCCCSCNCOCCCCCCSOONCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;d21;d21;s21;s24;s24;s26;s27;s28;s29;s26s30;s7;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁N₃O₄S₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.8762
Area:	717.812
Solvation:	-4.06908
Coulombic:	-39.6385

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	501.663
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.52
LogP (Chemaxon):	5.77

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