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Chemical ID: 5921120

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

Chemical ID:

5921120

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C27H30F2N2O3S/c1-3-34-16-4-15-30(27(33)22-8-12-24(29)13-9-22)19-26(32)31(18-25-14-5-20(2)35-25)17-21-6-10-23(28)11-7-21/h5-14H,3-4,15-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,2,5,23,14,18,30,34,15,17,31,33,22,6,4,12,20,8,24,13,29,16,32,21,9,27,19,35,7,11,10,28,3,25/E:(6,7)(8,9)(10,11)(12,13)/rA:35nCCOCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCF/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:	C₂₇H₃₀F₂N₂O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3418
Area:	721.67
Solvation:	-6.69992
Coulombic:	-50.8211

Bond Count [?]

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

Chemical Properties

Molecular Weight:	500.602
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.13
LogP (Chemaxon):	3.83

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

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Chemical Mix	Source	External ID	Descriptor	Value