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Chemical ID: 6024846
Chemical ID:
6024846
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-methyl-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-5-11-25(22(27)13-17(2)3)16-23(28)26(15-21-18(4)10-12-29-21)14-19-6-8-20(24)9-7-19/h6-10,12,17H,5,11,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,23,2,11,15,12,14,20,3,21,26,9,17,5,27,19,10,13,18,24,6,16,4,8,25,7,22/E:(2,3)(6,7)(8,9)/rA:29nCCCNCCONCCCCCCCFCCCCCSCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8352 |
Area: | 643.381 |
Solvation: | -4.24937 |
Coulombic: | -38.5057 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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