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Chemical ID: 6023671
Chemical ID:
6023671
Name [?]:
N-cyclohexyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]cyclopropanecarboxamide
SMILES [?]:
c1cc(sc1)CN(Cc2ccc(cc2)F)C(=O)CN(C3CCCCC3)C(=O)C4CC4
InChi [?]:
InChI=1/C24H29FN2O2S/c25-20-12-8-18(9-13-20)15-26(16-22-7-4-14-30-22)23(28)17-27(24(29)19-10-11-19)21-5-2-1-3-6-21/h4,7-9,12-14,19,21H,1-3,5-6,10-11,15-17H2
InChi Info:
AuxInfo=1/0/N:23,22,24,1,21,25,2,10,14,29,30,11,13,5,8,6,18,9,28,12,20,3,16,26,15,7,19,17,27,4/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:30nCCCSCCNCCCCCCCFCOCNCCCCCCCOCCC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s7;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s19;d26;s26;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29FN2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9189 |
Area: | 619.528 |
Solvation: | -4.56929 |
Coulombic: | -38.0506 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.564 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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