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Chemical ID: 5921125

CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)c3ccc(cc3)C

Chemical ID:

5921125

Name [?]:

N-(3-ethoxypropyl)-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methyl-benzamide

SMILES [?]:

CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)c3ccc(cc3)C

InChi [?]:

InChI=1/C28H33FN2O3S/c1-4-34-17-5-16-30(28(33)24-11-6-21(2)7-12-24)20-27(32)31(19-26-15-8-22(3)35-26)18-23-9-13-25(29)14-10-23/h6-15H,4-5,16-20H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,35,26,2,5,31,33,23,14,18,30,34,15,17,22,6,4,12,20,8,32,24,13,29,16,21,9,27,19,7,11,10,28,3,25/E:(6,7)(9,10)(11,12)(13,14)/rA:35nCCOCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s24;s7;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃FN₂O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6185
Area:	736.585
Solvation:	-5.79611
Coulombic:	-48.0328

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	496.638
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.41
LogP (Chemaxon):	4.16

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