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Chemical ID: 6030128

CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)N2CCCCC2)C(=O)c3ccc(cc3)Cl

Chemical ID:

6030128

Name [?]:

4-chloro-N-isobutyl-N-[[4-(1-piperidylcarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)N2CCCCC2)C(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H29ClN4O3S/c1-16(2)13-28(22(31)17-6-8-18(24)9-7-17)14-20(29)26-23-25-19(15-32-23)12-21(30)27-10-4-3-5-11-27/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,3,21,20,22,27,31,28,30,19,23,15,4,6,13,2,26,29,12,7,16,24,10,32,11,9,18,5,8,17,25,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32nCCCCNCCONCNCCSCCONCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉ClN₄O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3574
Area:	716.906
Solvation:	-5.56521
Coulombic:	-58.0401

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	477.02
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.13
LogP (Chemaxon):	3.64

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