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Chemical ID: 6033393

c1ccnc(c1)CNC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F

Chemical ID:

6033393

Name [?]:

N-cyclopropyl-4-fluoro-N-[[4-(2-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

c1ccnc(c1)CNC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)c4ccc(cc4)F

InChi [?]:

InChI=1/C23H22FN5O3S/c24-16-6-4-15(5-7-16)22(32)29(19-8-9-19)13-21(31)28-23-27-18(14-33-23)11-20(30)26-12-17-3-1-2-10-25-17/h1-7,10,14,19H,8-9,11-13H2,(H,26,30)(H,27,28,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,28,32,29,31,23,24,3,11,7,20,13,27,30,5,12,22,9,18,25,15,33,4,8,16,17,21,10,19,26,14/E:(4,5)(6,7)(8,9)/rA:33nCCCNCCCNCOCCCSCNNCOCNCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s22s23;s21;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂FN₅O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4202
Area:	694.017
Solvation:	-6.93025
Coulombic:	-69.5748

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	467.517
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.67
LogP (Chemaxon):	2.09

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