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Chemical ID: 6033611

Cc1ccccc1C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCCN3CCCCC3C)C4CC4

Chemical ID:

6033611

Name [?]:

N-cyclopropyl-2-methyl-N-[[4-[3-(2-methyl-1-piperidyl)propylcarbamoylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

Cc1ccccc1C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCCN3CCCCC3C)C4CC4

InChi [?]:

InChI=1/C27H37N5O3S/c1-19-8-3-4-10-23(19)26(35)32(22-11-12-22)17-25(34)30-27-29-21(18-36-27)16-24(33)28-13-7-15-31-14-6-5-9-20(31)2/h3-4,8,10,18,20,22H,5-7,9,11-17H2,1-2H3,(H,28,33)(H,29,30,34)

InChi Info:

AuxInfo=1/1/N:1,33,4,5,30,29,25,3,31,6,35,36,24,28,26,20,11,18,2,32,17,34,7,21,12,8,15,23,16,14,27,10,22,13,9,19/E:(11,12)/rA:36cCCCCCCCCONCCONCNCCSCCONCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s27s31;s32;s10;s34;s34s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₇N₅O₃S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	13.5234
Area:	781.86
Solvation:	-6.02307
Coulombic:	-66.9848

Bond Count [?]

All:	39
Single:	31
Double:	8
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	511.681
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.94
LogP (Chemaxon):	2.11

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