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Chemical ID: 5984025

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)Cc3ccc(cc3)OC

Chemical ID:

5984025

Name [?]:

2-[2-(4-methoxyphenyl)acetyl]amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide

SMILES [?]:

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)OC)NC(=O)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C24H28N4O4S/c1-5-15(2)21(25-20(29)13-16-9-11-18(31-3)12-10-16)22(30)26-24-28-27-23(33-24)17-7-6-8-19(14-17)32-4/h6-12,14-15,21H,5,13H2,1-4H3,(H,25,29)(H,26,28,30)

InChi Info:

AuxInfo=1/1/N:1,4,33,21,2,16,15,17,27,31,28,30,25,19,3,26,14,29,18,23,5,6,12,9,22,8,11,10,24,7,32,20,13/E:(9,10)(11,12)/rA:33cCCCCCCONCNNCSCCCCCCOCNCOCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;s5;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O₄S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	11.4933
Area:	725.827
Solvation:	-6.65238
Coulombic:	-61.3582

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	468.57
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.74
LogP (Chemaxon):	3.66

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