Chemical ID: 6025560

CCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CC(C)(C)C
Chemical ID:
6025560
Name [?]:
N-butyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3,3-dimethyl-butanamide
SMILES [?]:
CCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CC(C)(C)C
InChi [?]:
InChI=1/C25H35FN2O2S/c1-6-7-13-27(23(29)15-25(3,4)5)18-24(30)28(17-22-19(2)12-14-31-22)16-20-8-10-21(26)11-9-20/h8-12,14H,6-7,13,15-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,29,30,31,2,3,12,16,13,15,21,4,22,27,10,18,6,20,11,14,19,25,7,28,17,5,9,26,8,23/E:(3,4,5)(8,9)(10,11)/rA:31nCCCCNCCONCCCCCCCFCCCCCSCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s20;s5;d25;s25;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35FN2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9143
Area:684.073
Solvation:-4.18754
Coulombic:-39.0892
Bond Count [?]
All:32
Single:25
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:446.622
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.24
LogP (Chemaxon):5.2

Name Annotations

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Descriptor Annotations

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