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Chemical ID: 6024569

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)C(C)C

Chemical ID:

6024569

Name [?]:

N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-propanamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)C(C)C

InChi [?]:

InChI=1/C22H27FN2O2S/c1-15(2)22(27)25(19-8-9-19)14-21(26)24(13-20-16(3)10-11-28-20)12-17-4-6-18(23)7-5-17/h4-7,10-11,15,19H,8-9,12-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:27,28,1,11,15,12,14,22,23,3,4,9,7,19,26,2,10,13,21,6,17,24,16,8,20,18,25,5/E:(1,2)(4,5)(6,7)(8,9)/rA:28nCCCCSCCNCCCCCCCFCOCNCCCCOCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21s22;s20;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇FN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3678
Area:	583.03
Solvation:	-4.20794
Coulombic:	-37.593

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.526
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.04
LogP (Chemaxon):	3.79

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