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Chemical ID: 6025107

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)CCl

Chemical ID:

6025107

Name [?]:

N-benzyl-2-[(2-chloroacetyl)-isopropyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)CCl

InChi [?]:

InChI=1/C20H25ClN2O2S/c1-15(2)23(19(24)11-21)14-20(25)22(12-17-7-5-4-6-8-17)13-18-16(3)9-10-26-18/h4-10,15H,11-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:21,22,1,13,12,14,11,15,3,4,25,9,7,18,20,2,10,6,23,16,26,8,19,24,17,5/E:(1,2)(5,6)(7,8)/rA:26nCCCCSCCNCCCCCCCCOCNCCCCOCCl/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20;s19;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅ClN₂O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3473
Area:	583.148
Solvation:	-4.23144
Coulombic:	-34.244

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	392.943
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.91
LogP (Chemaxon):	3.41

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

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

Chemical Mix	Source	External ID	Descriptor	Value