Chemical ID: 6024449

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCCC3)C(=O)c4cccs4
Chemical ID:
6024449
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCCC3)C(=O)c4cccs4
InChi [?]:
InChI=1/C26H30FN3O2S2/c1-20-10-16-34-24(20)18-30(17-21-6-8-22(27)9-7-21)25(31)19-29(14-13-28-11-2-3-12-28)26(32)23-5-4-15-33-23/h4-10,15-16H,2-3,11-14,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,26,32,31,11,15,12,14,3,24,27,22,21,33,4,9,7,19,2,10,13,30,6,17,28,16,23,20,8,18,29,34,5/E:(2,3)(6,7)(8,9)(11,12)/rA:34nCCCCSCCNCCCCCCCFCOCNCCNCCCCCOCCCCS/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;s25;s23s26;s20;d28;s28;d30;s31;d32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30FN3O2S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.3915
Area:675.084
Solvation:-4.48557
Coulombic:-45.2651
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:499.666
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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