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Chemical ID: 6009114
Chemical ID:
6009114
Name [?]:
N-hexyl-2-phenyl-N-(thiazol-2-ylcarbamoylmethyl)cyclopropane-1-carboxamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)C2CC2c3ccccc3
InChi [?]:
InChI=1/C21H27N3O2S/c1-2-3-4-8-12-24(15-19(25)23-21-22-11-13-27-21)20(26)18-14-17(18)16-9-6-5-7-10-16/h5-7,9-11,13,17-18H,2-4,8,12,14-15H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,25,24,26,5,23,27,14,6,15,20,8,22,21,19,9,17,12,13,11,7,10,18,16/E:(6,7)(9,10)/rA:27cCCCCCCNCCONCNCCSCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;s19s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0949 |
Area: | 644.129 |
Solvation: | -5.00836 |
Coulombic: | -41.6604 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 385.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 4.04 |
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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