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Chemical ID: 6033359

COCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccccc3

Chemical ID:

6033359

Name [?]:

N-cyclopropyl-N-[[4-(2-methoxyethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

COCCNC(=O)Cc1csc(n1)NC(=O)CN(C2CC2)C(=O)c3ccccc3

InChi [?]:

InChI=1/C20H24N4O4S/c1-28-10-9-21-17(25)11-15-13-29-20(22-15)23-18(26)12-24(16-7-8-16)19(27)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,21,25)(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,20,21,4,3,8,17,10,24,9,19,6,15,22,12,5,13,14,18,7,16,23,2,11/E:(3,4)(5,6)(7,8)/rA:29nCOCCNCOCCCSCNNCOCNCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s19s20;s18;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₄O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.48025
Area:	650.073
Solvation:	-6.77156
Coulombic:	-69.4104

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	416.495
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	0.77
LogP (Chemaxon):	1.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value