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Chemical ID: 6023409
Chemical ID:
6023409
Name [?]:
2-chloro-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-isopropyl-propanamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C(C)Cl
InChi [?]:
InChI=1/C20H24ClFN2O2S/c1-14(2)24(20(26)15(3)21)13-19(25)23(12-18-5-4-10-27-18)11-16-6-8-17(22)9-7-16/h4-10,14-15H,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,20,19,11,15,12,14,21,9,17,5,2,25,10,13,18,6,23,27,16,8,4,7,24,22/E:(1,2)(6,7)(8,9)/rA:27cCCCNCCONCCCCCCCFCCCCCSCOCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClFN2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7081 |
Area: | 596.69 |
Solvation: | -4.20918 |
Coulombic: | -39.1065 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.934 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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