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Chemical ID: 6030495

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCN3CCCC3)C(C)C

Chemical ID:

6030495

Name [?]:

N-isopropyl-4-methyl-N-[[4-(2-pyrrolidin-1-ylethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCN3CCCC3)C(C)C

InChi [?]:

InChI=1/C24H33N5O3S/c1-17(2)29(23(32)19-8-6-18(3)7-9-19)15-22(31)27-24-26-20(16-33-24)14-21(30)25-10-13-28-11-4-5-12-28/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,30)(H,26,27,31)

InChi Info:

AuxInfo=1/1/N:32,33,1,28,29,3,7,4,6,24,27,30,25,20,11,18,31,2,5,17,21,12,8,15,23,16,14,26,10,22,13,9,19/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:33nCCCCCCCCONCCONCNCCSCCONCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s21;s23;s24;s25;s26;s27;s28;s26s29;s10;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₃N₅O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3707
Area:	728.779
Solvation:	-5.84878
Coulombic:	-66.9956

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	471.617
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.1
LogP (Chemaxon):	2.17

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