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Chemical ID: 5916052

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCN3CCOCC3)C(=O)c4ccccc4F

Chemical ID:

5916052

Name [?]:

N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-fluoro-N-(2-morpholinoethyl)benzamide

SMILES [?]:

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCN3CCOCC3)C(=O)c4ccccc4F

InChi [?]:

InChI=1/C28H32FN3O3S/c1-22-11-12-24(36-22)20-32(19-23-7-3-2-4-8-23)27(33)21-31(14-13-30-15-17-35-18-16-30)28(34)25-9-5-6-10-26(25)29/h2-12H,13-21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,12,14,32,33,11,15,31,34,3,4,21,20,23,27,24,26,9,7,18,2,10,5,30,35,16,28,36,22,19,8,17,29,25,6/E:(3,4)(7,8)(15,16)(17,18)/rA:36nCCCCCSCNCCCCCCCCOCNCCNCCOCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s19;d28;s28;s30;d31;s32;d33;d30s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂FN₃O₃S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9883
Area:	712.776
Solvation:	-6.8311
Coulombic:	-51.8522

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	509.637
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.83
LogP (Chemaxon):	3.1

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

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Chemical Mix	Source	External ID	Descriptor	Value