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Chemical ID: 6024388

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

Chemical ID:

6024388

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C20H25FN2O2S/c1-14(2)23(16(4)24)13-20(25)22(12-19-15(3)9-10-26-19)11-17-5-7-18(21)8-6-17/h5-10,14H,11-13H2,1-4H3

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₀H₂₅FN₂O₂S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.28638
Area:	555.436
Solvation:	-4.59952
Coulombic:	-36.5777

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	376.489
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.84
LogP (Chemaxon):	2.96

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