Chemical ID: 6007151

CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)OC
Chemical ID:
6007151
Name [?]:
N-(3-ethoxypropyl)-4-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C19H25N3O4S/c1-4-26-11-5-10-22(12-17(23)21-19-20-14(2)13-27-19)18(24)15-6-8-16(25-3)9-7-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,27,2,5,21,25,22,24,6,4,8,15,14,20,23,9,18,12,13,11,7,10,19,26,3,16/E:(6,7)(8,9)/rA:27nCCOCCCNCCONCNCCSCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.31307
Area:631.797
Solvation:-6.48185
Coulombic:-56.925
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:391.486
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.94
LogP (Chemaxon):1.68

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Descriptor Annotations

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