Chemical ID: 6024805

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)C(C)C
Chemical ID:
6024805
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)C(C)C
InChi [?]:
InChI=1/C22H29FN2O2S/c1-5-11-24(22(27)16(2)3)15-21(26)25(14-20-17(4)10-12-28-20)13-18-6-8-19(23)9-7-18/h6-10,12,16H,5,11,13-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,23,2,11,15,12,14,20,3,21,9,17,5,26,19,10,13,18,6,24,16,4,8,7,25,22/E:(2,3)(6,7)(8,9)/rA:28nCCCNCCONCCCCCCCFCCCCCSCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29FN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.5023
Area:601.384
Solvation:-4.53233
Coulombic:-37.9622
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.542
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.28
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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