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Chemical ID: 6319586

Cc1ccc(c(c1)C)NC(=O)c2c3c(sc2NC(=O)c4ccccc4C)CC(CC3)C(C)(C)C

Chemical ID:

6319586

Name [?]:

N-(2,4-dimethylphenyl)-2-(2-methylbenzoyl)amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)c2c3c(sc2NC(=O)c4ccccc4C)CC(CC3)C(C)(C)C

InChi [?]:

InChI=1/C29H34N2O2S/c1-17-11-14-23(19(3)15-17)30-27(33)25-22-13-12-20(29(4,5)6)16-24(22)34-28(25)31-26(32)21-10-8-7-9-18(21)2/h7-11,14-15,20H,12-13,16H2,1-6H3,(H,30,33)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,26,8,32,33,34,23,22,24,21,3,29,30,4,7,27,2,25,6,28,20,13,5,14,12,18,10,16,31,9,17,19,11,15/E:(4,5,6)/rA:34cCCCCCCCCNCOCCCSCNCOCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d12s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s14;s27;s28;s13s29;s28;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₂O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	15.2111
Area:	719.265
Solvation:	-2.77048
Coulombic:	-45.79

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	474.659
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	7.4
LogP (Chemaxon):	6.82

Name Annotations

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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