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Chemical ID: 6024569
Chemical ID:
6024569
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-propanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C3CC3)C(=O)C(C)C
InChi [?]:
InChI=1/C22H27FN2O2S/c1-15(2)22(27)25(19-8-9-19)14-21(26)24(13-20-16(3)10-11-28-20)12-17-4-6-18(23)7-5-17/h4-7,10-11,15,19H,8-9,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:27,28,1,11,15,12,14,22,23,3,4,9,7,19,26,2,10,13,21,6,17,24,16,8,20,18,25,5/E:(1,2)(4,5)(6,7)(8,9)/rA:28nCCCCSCCNCCCCCCCFCOCNCCCCOCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21s22;s20;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27FN2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3678 |
Area: | 583.03 |
Solvation: | -4.20794 |
Coulombic: | -37.593 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 402.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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