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Chemical ID: 6024378
Chemical ID:
6024378
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-2,2-dimethyl-propanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(C(C)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-16(2)26(22(28)23(4,5)6)15-21(27)25(14-20-17(3)11-12-29-20)13-18-7-9-19(24)10-8-18/h7-12,16H,13-15H2,1-6H3
InChi Info:
AuxInfo=1/0/N:22,23,1,27,28,29,11,15,12,14,3,4,9,7,19,21,2,10,13,6,17,24,26,16,8,20,18,25,5/E:(1,2)(4,5,6)(7,8)(9,10)/rA:29nCCCCSCCNCCCCCCCFCOCNCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5127 |
Area: | 583.04 |
Solvation: | -4.06333 |
Coulombic: | -38.4435 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.58 |
LogP (Chemaxon): | 4.82 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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