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Chemical ID: 5938477
Chemical ID:
5938477
Name [?]:
3-cyclopentyl-N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-propanamide
SMILES [?]:
c1cc(ccc1c2csc(n2)N3CCCC3)NC(=O)CCC4CCCC4
InChi [?]:
InChI=1/C21H27N3OS/c25-20(12-7-16-5-1-2-6-16)22-18-10-8-17(9-11-18)19-15-26-21(23-19)24-13-3-4-14-24/h8-11,15-16H,1-7,12-14H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:24,25,14,15,23,26,21,1,5,2,4,20,13,16,8,22,6,3,7,18,10,17,11,12,19,9/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)/rA:26nCCCCCCCCSCNNCCCCNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;s14;s12s15;s3;s17;d18;s18;s20;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2787 |
Area: | 609.61 |
Solvation: | -2.96159 |
Coulombic: | -33.9894 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.525 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.52 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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