Chemical ID: 6023700

c1ccc(cc1)C=CC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3)C4CCCCC4
Chemical ID:
6023700
Name [?]:
N-cyclohexyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-3-phenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3)C4CCCCC4
InChi [?]:
InChI=1/C29H31FN2O2S/c30-25-16-13-24(14-17-25)20-31(21-27-12-7-19-35-27)29(34)22-32(26-10-5-2-6-11-26)28(33)18-15-23-8-3-1-4-9-23/h1,3-4,7-9,12-19,26H,2,5-6,10-11,20-22H2
InChi Info:
AuxInfo=1/0/N:1,33,2,6,32,34,27,3,5,31,35,26,18,22,7,19,21,8,28,16,24,12,4,17,20,30,25,9,13,23,15,11,10,14,29/E:(3,4)(5,6)(8,9)(10,11)(13,14)(16,17)/rA:35nCCCCCCCCCONCCONCCCCCCCFCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s11;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31FN2O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.4063
Area:692.313
Solvation:-4.90153
Coulombic:-40.8273
Bond Count [?]
All:38
Single:27
Double:11
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:490.633
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.63
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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