Chemical ID: 5920980

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)c3cccs3
Chemical ID:
5920980
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)c3cccs3
InChi [?]:
InChI=1/C23H25FN2O3S2/c1-17-5-10-20(31-17)15-26(14-18-6-8-19(24)9-7-18)22(27)16-25(11-12-29-2)23(28)21-4-3-13-30-21/h3-10,13H,11-12,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,29,28,3,11,15,12,14,4,21,22,30,9,7,19,2,10,13,5,27,17,25,16,20,8,18,26,23,31,6/E:(6,7)(8,9)/rA:31nCCCCCSCNCCCCCCCFCOCNCCOCCOCCCCS/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25FN2O3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.19679
Area:629.781
Solvation:-6.54773
Coulombic:-46.0818
Bond Count [?]
All:33
Single:24
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:460.587
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.21
LogP (Chemaxon):2.72

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Descriptor Annotations

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