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Chemical ID: 6010432

CCCCCc1ccc(cc1)C(=O)NC(C(C)C)C(=O)Nc2nnc(s2)c3cccc(c3)OC

Chemical ID:

6010432

Name [?]:

N-[1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]-4-pentyl-benzamide

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)NC(C(C)C)C(=O)Nc2nnc(s2)c3cccc(c3)OC

InChi [?]:

InChI=1/C26H32N4O3S/c1-5-6-7-9-18-12-14-19(15-13-18)23(31)27-22(17(2)3)24(32)28-26-30-29-25(34-26)20-10-8-11-21(16-20)33-4/h8,10-17,22H,5-7,9H2,1-4H3,(H,27,31)(H,28,30,32)

InChi Info:

AuxInfo=1/1/N:1,17,18,34,2,3,4,29,5,28,30,7,11,8,10,32,16,6,9,27,31,15,12,19,25,22,14,21,24,23,13,20,33,26/E:(2,3)(12,13)(14,15)/rA:34cCCCCCCCCCCCCONCCCCCONCNNCSCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s16;s15;d19;s19;s21;d22;s23;d24;s22s25;s25;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5875
Area:	774.049
Solvation:	-4.76371
Coulombic:	-57.7653

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	480.623
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	7.06
LogP (Chemaxon):	5.45

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

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

Chemical Mix	Source	External ID	Descriptor	Value