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Chemical ID: 6367350
Chemical ID:
6367350
Name [?]:
3-cyclopentyl-N-(6-ethoxybenzothiazol-2-yl)-propanamide
SMILES [?]:
CCOc1ccc2c(c1)sc(n2)NC(=O)CCC3CCCC3
InChi [?]:
InChI=1/C17H22N2O2S/c1-2-21-13-8-9-14-15(11-13)22-17(18-14)19-16(20)10-7-12-5-3-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,17,5,6,16,9,18,4,7,8,14,11,12,13,15,3,10/E:(3,4)(5,6)/rA:22nCCOCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9557 |
Area: | 541.836 |
Solvation: | -3.59019 |
Coulombic: | -33.2737 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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