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Chemical ID: 6003210

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)C(c2ccccc2)c3ccccc3

Chemical ID:

6003210

Name [?]:

2-[(2,2-diphenylacetyl)-isopentyl-amino]-N-(4-methylthiazol-2-yl)-acetamide

SMILES [?]:

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)C(c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C25H29N3O2S/c1-18(2)14-15-28(16-22(29)27-25-26-19(3)17-31-25)24(30)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,17-18,23H,14-16H2,1-3H3,(H,26,27,29)

InChi Info:

AuxInfo=1/1/N:15,16,1,23,29,22,24,28,30,21,25,27,31,13,12,10,3,14,2,20,26,8,19,17,5,6,7,11,9,18,4/E:(1,2)(4,5)(6,7,8,9)(10,11,12,13)(20,21)/rA:31nCCCSCNNCOCNCCCCCCOCCCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉N₃O₂S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7908
Area:	680.472
Solvation:	-4.22095
Coulombic:	-45.2372

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	435.583
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.77
LogP (Chemaxon):	5.14

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

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Chemical Mix	Source	External ID	Descriptor	Value