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Chemical ID: 6024989

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)COC

Chemical ID:

6024989

Name [?]:

N-[(4-fluorophenyl)methyl]-2-[(2-methoxyacetyl)-(tetrahydrofuran-2-ylmethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)COC

InChi [?]:

InChI=1/C23H29FN2O4S/c1-17-9-11-31-21(17)14-25(12-18-5-7-19(24)8-6-18)22(27)15-26(23(28)16-29-2)13-20-4-3-10-30-20/h5-9,11,20H,3-4,10,12-16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,24,23,11,15,12,14,3,25,4,9,21,7,19,29,2,10,13,22,6,17,27,16,8,20,18,28,30,26,5/E:(5,6)(7,8)/rA:31cCCCCSCCNCCCCCCCFCOCNCCCCCOCOCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s22s25;s20;d27;s27;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉FN₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	8.25723
Area:	654.987
Solvation:	-8.11746
Coulombic:	-52.8359

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	448.552
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	1.79
LogP (Chemaxon):	2.16

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