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Chemical ID: 7480653

c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)NC(=S)NC(=O)CCC4CCCCC4

Chemical ID:

7480653

Name [?]:

3-cyclohexyl-N-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoyl]propanamide

SMILES [?]:

c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)NC(=S)NC(=O)CCC4CCCCC4

InChi [?]:

InChI=1/C24H29N3O3S2/c28-23(15-10-18-6-2-1-3-7-18)26-24(31)25-20-11-13-21(14-12-20)32(29,30)27-17-16-19-8-4-5-9-22(19)27/h4-5,8-9,11-14,18H,1-3,6-7,10,15-17H2,(H2,25,26,28,31)

InChi Info:

AuxInfo=1/1/N:30,29,31,1,2,28,32,6,3,26,15,17,14,18,25,7,8,27,5,16,13,4,23,20,19,22,9,24,11,12,21,10/E:(2,3)(6,7)(11,12)(13,14)(29,30)/CRV:32.6/rA:32cCCCCCCCCNSOOCCCCCCNCSNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s23;s25;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.6411
Area:	689.458
Solvation:	-3.59535
Coulombic:	-40.7269

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.637
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.1
LogP (Chemaxon):	5.06

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