Chemical ID: 5915622

CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(cc3)F
Chemical ID:
5915622
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-4-fluoro-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H25FN2O2S/c1-2-14-26(24(29)20-10-12-21(25)13-11-20)18-23(28)27(17-22-9-6-15-30-22)16-19-7-4-3-5-8-19/h3-13,15H,2,14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,19,11,15,18,25,29,26,28,3,20,9,16,5,10,24,27,17,6,22,30,4,8,7,23,21/E:(4,5)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25FN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1558
Area:614.182
Solvation:-4.19872
Coulombic:-40.9114
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.532
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.31
LogP (Chemaxon):4.28

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Descriptor Annotations

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