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Chemical ID: 6024925

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)c4ccccc4

Chemical ID:

6024925

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)c4ccccc4

InChi [?]:

InChI=1/C27H29FN2O3S/c1-20-13-15-34-25(20)18-29(16-21-9-11-23(28)12-10-21)26(31)19-30(17-24-8-5-14-33-24)27(32)22-6-3-2-4-7-22/h2-4,6-7,9-13,15,24H,5,8,14,16-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,32,31,33,24,30,34,23,11,15,12,14,3,25,4,9,21,7,19,2,10,29,13,22,6,17,27,16,8,20,18,28,26,5/E:(3,4)(6,7)(9,10)(11,12)/rA:34cCCCCSCCNCCCCCCCFCOCNCCCCCOCOCCCCCC/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;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₉FN₂O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1272
Area:	651.244
Solvation:	-6.15387
Coulombic:	-47.2148

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	480.595
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.02
LogP (Chemaxon):	4.17

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