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Chemical ID: 6319268

Cc1ccc(cc1)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C

Chemical ID:

6319268

Name [?]:

4-methyl-N-[3-[(4-methyl-1-piperidyl)carbonyl]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C

InChi [?]:

InChI=1/C27H36N2O2S/c1-17-6-8-19(9-7-17)24(30)28-25-23(26(31)29-14-12-18(2)13-15-29)21-11-10-20(27(3,4)5)16-22(21)32-25/h6-9,18,20H,10-16H2,1-5H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,32,21,22,23,3,7,4,6,18,19,28,30,27,31,16,2,29,5,17,13,14,12,8,11,24,20,10,26,9,25,15/E:(3,4,5)(6,7)(8,9)(12,13)(14,15)/rA:32cCCCCCCCCONCCCCSCCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s17;s20;s20;s20;s12;d24;s24;s26;s27;s28;s29;s26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₆N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5202
Area:	685.498
Solvation:	-2.61719
Coulombic:	-41.4222

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	452.653
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.69
LogP (Chemaxon):	6.32

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