Chemical ID: 6024846

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CC(C)C
Chemical ID:
6024846
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-methyl-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-5-11-25(22(27)13-17(2)3)16-23(28)26(15-21-18(4)10-12-29-21)14-19-6-8-20(24)9-7-19/h6-10,12,17H,5,11,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,23,2,11,15,12,14,20,3,21,26,9,17,5,27,19,10,13,18,24,6,16,4,8,25,7,22/E:(2,3)(6,7)(8,9)/rA:29nCCCNCCONCCCCCCCFCCCCCSCCOCCCC/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;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8352
Area:643.381
Solvation:-4.24937
Coulombic:-38.5057
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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