Chemical ID: 6023903

Cc1ccccc1C(=O)N(CC=C)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
Chemical ID:
6023903
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CC=C)CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3
InChi [?]:
InChI=1/C25H25FN2O2S/c1-3-14-27(25(30)23-9-5-4-7-19(23)2)18-24(29)28(17-22-8-6-15-31-22)16-20-10-12-21(26)13-11-20/h3-13,15H,1,14,16-18H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,4,5,29,3,28,6,20,24,21,23,11,30,18,26,14,2,19,22,27,7,15,8,25,10,17,16,9,31/E:(10,11)(12,13)/rA:31nCCCCCCCCONCCCCCONCCCCCCCFCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25FN2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9199
Area:652.714
Solvation:-4.39791
Coulombic:-42.3865
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.543
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.58
LogP (Chemaxon):4.68

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Descriptor Annotations

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