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Chemical ID: 6023849

c1cc(sc1)CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)c4cccs4

Chemical ID:

6023849

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide

SMILES [?]:

c1cc(sc1)CN(Cc2ccc(cc2)F)C(=O)CN(CC3CCCO3)C(=O)c4cccs4

InChi [?]:

InChI=1/C24H25FN2O3S2/c25-19-9-7-18(8-10-19)14-26(16-21-5-2-12-31-21)23(28)17-27(15-20-4-1-11-30-20)24(29)22-6-3-13-32-22/h2-3,5-10,12-13,20H,1,4,11,14-17H2

InChi Info:

AuxInfo=1/0/N:23,1,30,22,2,29,10,14,11,13,24,5,31,8,20,6,18,9,12,21,3,28,16,26,15,7,19,17,27,25,4,32/E:(7,8)(9,10)/rA:32cCCCSCCNCCCCCCCFCOCNCCCCCOCOCCCCS/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s7;d16;s16;s18;s19;s20;s21;s22;s23;s21s24;s19;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅FN₂O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8897
Area:	661.131
Solvation:	-5.63861
Coulombic:	-47.8882

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.597
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.9
LogP (Chemaxon):	3.12

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