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Chemical ID: 6024384

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

Chemical ID:

6024384

Name [?]:

N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-2-methyl-propanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C22H29FN2O2S/c1-15(2)22(27)25(16(3)4)14-21(26)24(13-20-17(5)10-11-28-20)12-18-6-8-19(23)9-7-18/h6-11,15-16H,12-14H2,1-5H3

InChi Info:

AuxInfo=1/0/N:27,28,22,23,1,11,15,12,14,3,4,9,7,19,26,21,2,10,13,6,17,24,16,8,20,18,25,5/E:(1,2)(3,4)(6,7)(8,9)/rA:28nCCCCSCCNCCCCCCCFCOCNCCCCOCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉FN₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4831
Area:	588.21
Solvation:	-4.22217
Coulombic:	-37.8389

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.542
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.38
LogP (Chemaxon):	4.15

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value