Chemical ID: 7260849

CC(=O)NCCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
Chemical ID:
7260849
Name [?]:
3-acetamido-N-[4-(2-naphthyl)thiazol-2-yl]-propanamide
SMILES [?]:
CC(=O)NCCC(=O)Nc1nc(cs1)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C18H17N3O2S/c1-12(22)19-9-8-17(23)21-18-20-16(11-24-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-11H,8-9H2,1H3,(H,19,22)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,17,16,6,5,24,13,2,18,23,15,12,7,10,4,11,9,3,8,14/rA:24nCCONCCCONCNCCSCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O2S
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.97038
Area:566.877
Solvation:-4.20154
Coulombic:-45.9974
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.413
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.71
LogP (Chemaxon):2.82

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Descriptor Annotations

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