Chemical ID: 5921066

Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
Chemical ID:
5921066
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccc(cc2)F)C(=O)CN(CC=C)C(=O)C
InChi [?]:
InChI=1/C20H23FN2O2S/c1-4-11-22(16(3)24)14-20(25)23(13-19-10-5-15(2)26-19)12-17-6-8-18(21)9-7-17/h4-10H,1,11-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,26,22,3,11,15,12,14,4,21,9,7,19,2,24,10,13,5,17,16,20,8,25,18,6/E:(6,7)(8,9)/rA:26nCCCCCSCNCCCCCCCFCOCNCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;d22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23FN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.84503
Area:587.218
Solvation:-4.83541
Coulombic:-37.5917
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.473
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.28
LogP (Chemaxon):2.48

Name Annotations

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Descriptor Annotations

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