Chemical ID: 4464369

Cc1c(nc(s1)NC(=O)COc2ccccc2[N+](=O)[O-])c3ccccc3
Chemical ID:
4464369
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2[N+](=O)[O-])c3ccccc3
InChi [?]:
InChI=1/C18H15N3O4S/c1-12-17(13-7-3-2-4-8-13)20-18(26-12)19-16(22)11-25-15-10-6-5-9-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,15,14,22,26,16,13,10,2,21,17,12,8,3,5,7,4,18,9,19,20,11,6/E:(3,4)(7,8)(23,24)/CRV:21.5/rA:26nCCCNCSNCOCOCCCCCCN+OO-CCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:1.8808
Area:578.121
Solvation:-12.5722
Coulombic:-43.8122
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.396
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.13
LogP (Chemaxon):4.17

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Descriptor Annotations

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