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Chemical ID: 6024656

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)OC

Chemical ID:

6024656

Name [?]:

N-[(4-fluorophenyl)methyl]-2-[2-methoxyethyl-[2-(4-methoxyphenyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C27H31FN2O4S/c1-20-12-15-35-25(20)18-30(17-22-4-8-23(28)9-5-22)27(32)19-29(13-14-33-2)26(31)16-21-6-10-24(34-3)11-7-21/h4-12,15H,13-14,16-19H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,35,11,15,29,33,12,14,30,32,3,21,22,4,27,9,7,19,2,28,10,13,31,6,25,17,16,20,8,26,18,23,34,5/E:(4,5)(6,7)(8,9)(10,11)/rA:35nCCCCSCCNCCCCCCCFCOCNCCOCCOCCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₁FN₂O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5976
Area:	730.567
Solvation:	-7.66652
Coulombic:	-52.5229

Bond Count [?]

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

Chemical Properties

Molecular Weight:	498.611
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.21
LogP (Chemaxon):	3.63

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