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Chemical ID: 6319185

Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NC(C)c4ccccc4

Chemical ID:

6319185

Name [?]:

2-(2-methylbenzoyl)amino-N-(1-phenylethyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NC(C)c4ccccc4

InChi [?]:

InChI=1/C29H34N2O2S/c1-18-11-9-10-14-22(18)26(32)31-28-25(27(33)30-19(2)20-12-7-6-8-13-20)23-16-15-21(29(3,4)5)17-24(23)34-28/h6-14,19,21H,15-17H2,1-5H3,(H,30,33)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,28,21,22,23,32,31,33,4,5,3,30,34,6,18,19,16,2,27,29,17,7,13,14,12,8,24,11,20,26,10,9,25,15/E:(3,4,5)(7,8)(12,13)/rA:34cCCCCCCCCONCCCCSCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s17;s20;s20;s20;s12;d24;s24;s26;s27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₂O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	2

ZAP Information [?]

Total:	15.1491
Area:	719.187
Solvation:	-2.83063
Coulombic:	-47.498

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	474.659
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	7.41
LogP (Chemaxon):	7.22

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