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Chemical ID: 6030531

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)N3CCN(CC3)C(=O)C)C(C)C

Chemical ID:

6030531

Name [?]:

N-[[4-[(4-acetylpiperazin-1-yl)carbonylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isopropyl-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)N3CCN(CC3)C(=O)C)C(C)C

InChi [?]:

InChI=1/C24H31N5O4S/c1-16(2)29(23(33)19-7-5-17(3)6-8-19)14-21(31)26-24-25-20(15-34-24)13-22(32)28-11-9-27(10-12-28)18(4)30/h5-8,15-16H,9-14H2,1-4H3,(H,25,26,31)

InChi Info:

AuxInfo=1/1/N:33,34,1,31,3,7,4,6,25,27,24,28,20,11,18,32,2,29,5,17,12,21,8,15,16,14,26,23,10,30,13,22,9,19/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:34nCCCCCCCCONCCONCNCCSCCONCCNCCCOCCCC/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;s23s27;s26;d29;s29;s10;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₅O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3372
Area:	724.72
Solvation:	-6.78077
Coulombic:	-71.5254

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	485.6
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	1.31
LogP (Chemaxon):	1.52

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