Chemical ID: 5697387

CCc1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-]
Chemical ID:
5697387
Name [?]:
4-ethyl-N-(6-nitrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H13N3O3S/c1-2-10-3-5-11(6-4-10)15(20)18-16-17-13-8-7-12(19(21)22)9-14(13)23-16/h3-9H,2H2,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,16,15,18,3,6,17,14,19,9,12,13,11,21,10,22,23,20/E:(3,4)(5,6)(21,22)/CRV:19.5/rA:23nCCCCCCCCCONCNCCCCCCSN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.44661
Area:534.701
Solvation:-7.92091
Coulombic:-38.5984
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.359
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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