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Chemical ID: 5938477

c1cc(ccc1c2csc(n2)N3CCCC3)NC(=O)CCC4CCCC4

Chemical ID:

5938477

Name [?]:

3-cyclopentyl-N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-propanamide

SMILES [?]:

c1cc(ccc1c2csc(n2)N3CCCC3)NC(=O)CCC4CCCC4

InChi [?]:

InChI=1/C21H27N3OS/c25-20(12-7-16-5-1-2-6-16)22-18-10-8-17(9-11-18)19-15-26-21(23-19)24-13-3-4-14-24/h8-11,15-16H,1-7,12-14H2,(H,22,25)

InChi Info:

AuxInfo=1/1/N:24,25,14,15,23,26,21,1,5,2,4,20,13,16,8,22,6,3,7,18,10,17,11,12,19,9/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)/rA:26nCCCCCCCCSCNNCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;s14;s12s15;s3;s17;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₇N₃OS
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2787
Area:	609.61
Solvation:	-2.96159
Coulombic:	-33.9894

Bond Count [?]

All:	29
Single:	23
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	369.525
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.52
LogP (Chemaxon):	5.35

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

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

Chemical Mix	Source	External ID	Descriptor	Value