Chemical ID: 6024641

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)C
Chemical ID:
6024641
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)C
InChi [?]:
InChI=1/C20H25FN2O3S/c1-15-8-11-27-19(15)13-23(12-17-4-6-18(21)7-5-17)20(25)14-22(16(2)24)9-10-26-3/h4-8,11H,9-10,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,24,11,15,12,14,3,21,22,4,9,7,19,2,25,10,13,6,17,16,20,8,26,18,23,5/E:(4,5)(6,7)/rA:27nCCCCSCCNCCCCCCCFCOCNCCOCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25FN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.76749
Area:587.036
Solvation:-6.90841
Coulombic:-42.3284
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:392.489
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.76
LogP (Chemaxon):2.04

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Descriptor Annotations

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