Chemical ID: 5913988

CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)C(CC)CC
Chemical ID:
5913988
Name [?]:
2-ethyl-N-[(4-phenylthiazol-2-yl)carbamoylmethyl]-N-propyl-butanamide
SMILES [?]:
CCCN(CC(=O)Nc1nc(cs1)c2ccccc2)C(=O)C(CC)CC
InChi [?]:
InChI=1/C20H27N3O2S/c1-4-12-23(19(25)15(5-2)6-3)13-18(24)22-20-21-17(14-26-20)16-10-8-7-9-11-16/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,26,2,23,25,17,16,18,15,19,3,5,12,22,14,11,6,20,9,10,8,4,7,21,13/E:(2,3)(5,6)(8,9)(10,11)/rA:26nCCCNCCONCNCCSCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s4;d20;s20;s22;s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1228
Area:604.119
Solvation:-3.9802
Coulombic:-43.8459
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:373.513
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.89
LogP (Chemaxon):4.68

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Descriptor Annotations

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