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Chemical ID: 5926606

CC(C)(C)c1ccc(cc1)C(=O)N(CCC(=O)Nc2nnc(s2)c3ccc(cc3)OC)CCOC

Chemical ID:

5926606

Name [?]:

N-(2-methoxyethyl)-N-[2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]-4-tert-butyl-benzamide

SMILES [?]:

CC(C)(C)c1ccc(cc1)C(=O)N(CCC(=O)Nc2nnc(s2)c3ccc(cc3)OC)CCOC

InChi [?]:

InChI=1/C26H32N4O4S/c1-26(2,3)20-10-6-19(7-11-20)24(32)30(16-17-33-4)15-14-22(31)27-25-29-28-23(35-25)18-8-12-21(34-5)13-9-18/h6-13H,14-17H2,1-5H3,(H,27,29,31)

InChi Info:

AuxInfo=1/1/N:1,3,4,35,31,7,9,25,29,6,10,26,28,15,14,32,33,24,8,5,27,16,22,11,19,2,18,21,20,13,17,12,34,30,23/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:35nCCCCCCCCCCCONCCCONCNNCSCCCCCCOCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;d25;s26;d27;d24s28;s27;s30;s13;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4622
Area:	777.416
Solvation:	-6.97317
Coulombic:	-57.7705

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	496.623
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.19
LogP (Chemaxon):	3.88

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

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Chemical Mix	Source	External ID	Descriptor	Value