Chemical ID: 6024378

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C(C)(C)C
Chemical ID:
6024378
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-2,2-dimethyl-propanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-16(2)26(22(28)23(4,5)6)15-21(27)25(14-20-17(3)11-12-29-20)13-18-7-9-19(24)10-8-18/h7-12,16H,13-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:22,23,1,27,28,29,11,15,12,14,3,4,9,7,19,21,2,10,13,6,17,24,26,16,8,20,18,25,5/E:(1,2)(4,5,6)(7,8)(9,10)/rA:29nCCCCSCCNCCCCCCCFCOCNCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.5127
Area:583.04
Solvation:-4.06333
Coulombic:-38.4435
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):4.82

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Descriptor Annotations

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