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Chemical ID: 5920970
Chemical ID:
5920970
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)propanamide
SMILES [?]:
CCC(=O)N(CCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H27FN2O3S/c1-4-20(25)23(11-12-27-3)15-21(26)24(14-19-10-5-16(2)28-19)13-17-6-8-18(22)9-7-17/h5-10H,4,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,9,2,25,16,20,17,19,24,6,7,14,22,10,26,15,18,23,3,11,21,5,13,4,12,8,27/E:(6,7)(8,9)/rA:28nCCCONCCOCCCONCCCCCCCFCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27FN2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4284 |
Area: | 627.123 |
Solvation: | -5.24967 |
Coulombic: | -45.222 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 406.515 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.72 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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