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Chemical ID: 6009212
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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