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Chemical ID: 6033484

c1cc(ccc1C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCN3CCCCC3)C4CC4)Cl

Chemical ID:

6033484

Name [?]:

4-chloro-N-cyclopropyl-N-[[4-[2-(1-piperidyl)ethylcarbamoylmethyl]thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

c1cc(ccc1C(=O)N(CC(=O)Nc2nc(cs2)CC(=O)NCCN3CCCCC3)C4CC4)Cl

InChi [?]:

InChI=1/C24H30ClN5O3S/c25-18-6-4-17(5-7-18)23(33)30(20-8-9-20)15-22(32)28-24-27-19(16-34-24)14-21(31)26-10-13-29-11-2-1-3-12-29/h4-7,16,20H,1-3,8-15H2,(H,26,31)(H,27,28,32)

InChi Info:

AuxInfo=1/1/N:28,27,29,1,5,2,4,32,33,23,26,30,24,19,10,17,6,3,16,31,20,11,7,14,34,22,15,13,25,9,21,12,8,18/E:(2,3)(4,5)(6,7)(8,9)(11,12)/rA:34nCCCCCCCONCCONCNCCSCCONCCNCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;s25s29;s9;s31;s31s32;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀ClN₅O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.97
Area:	756.909
Solvation:	-5.95274
Coulombic:	-66.7587

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	504.046
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.3
LogP (Chemaxon):	2.06

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