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Chemical ID: 3928599

CCCN(c1nnc(s1)c2ccc(cc2)C(C)(C)C)C(=O)Cc3cccc(c3)OC

Chemical ID:

3928599

Name [?]:

2-(3-methoxyphenyl)-N-propyl-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-acetamide

SMILES [?]:

CCCN(c1nnc(s1)c2ccc(cc2)C(C)(C)C)C(=O)Cc3cccc(c3)OC

InChi [?]:

InChI=1/C24H29N3O2S/c1-6-14-27(21(28)16-17-8-7-9-20(15-17)29-5)23-26-25-22(30-23)18-10-12-19(13-11-18)24(2,3)4/h7-13,15H,6,14,16H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,17,18,19,30,2,25,24,26,11,15,12,14,3,28,22,23,10,13,27,20,8,5,16,7,6,4,21,29,9/E:(2,3,4)(10,11)(12,13)/rA:30nCCCNCNNCSCCCCCCCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;s4;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0967
Area:	680.087
Solvation:	-3.90549
Coulombic:	-31.2684

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.572
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.65
LogP (Chemaxon):	5.39

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