Chemical ID: 6367350

CCOc1ccc2c(c1)sc(n2)NC(=O)CCC3CCCC3
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

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Descriptor Annotations

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