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Chemical ID: 6024560
Chemical ID:
6024560
Name [?]:
N-cyclopropyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C3CC3
InChi [?]:
InChI=1/C23H29FN2O2S/c1-3-4-5-22(27)26(20-10-11-20)16-23(28)25(15-21-17(2)12-13-29-21)14-18-6-8-19(24)9-7-18/h6-9,12-13,20H,3-5,10-11,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,4,14,18,15,17,28,29,23,24,12,20,8,22,13,16,27,21,5,9,19,11,7,6,10,25/E:(6,7)(8,9)(10,11)/rA:29nCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s22;s7;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29FN2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2914 |
Area: | 628.83 |
Solvation: | -4.42938 |
Coulombic: | -37.7957 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.553 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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