Chemical ID: 6009212

COCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc3ccccc3c2
Chemical ID:
6009212
Name [?]:
N-(3-methoxypropyl)-N-(thiazol-2-ylcarbamoylmethyl)naphthalene-2-carboxamide
SMILES [?]:
COCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H21N3O3S/c1-26-11-4-10-23(14-18(24)22-20-21-9-12-27-20)19(25)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-9,12-13H,4,10-11,14H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,22,25,20,19,13,5,3,14,27,7,21,26,18,8,16,11,12,10,6,9,17,2,15/rA:27nCOCCCNCCONCNCCSCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.35862
Area:610.939
Solvation:-5.91485
Coulombic:-50.7226
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.465
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):2.42

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Descriptor Annotations

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