Chemical ID: 6284164

CCn1c2ccccc2sc1=NC(=O)C=Cc3cccc(c3)[N+](=O)[O-]
Chemical ID:
6284164
Name [?]:
N-(3-ethylbenzothiazol-2-ylidene)-3-(3-nitrophenyl)-prop-2-enamide
SMILES [?]:
CCn1c2ccccc2sc1=NC(=O)C=Cc3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H15N3O3S/c1-2-20-15-8-3-4-9-16(15)25-18(20)19-17(22)11-10-13-6-5-7-14(12-13)21(23)24/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,19,18,20,5,8,16,15,22,17,21,4,9,13,11,12,3,23,14,24,25,10/E:(23,24)/CRV:21.5/rA:25nCCNCCCCCCSCNCOCCCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.26482
Area:529.987
Solvation:-6.98486
Coulombic:-37.5601
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:353.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):5.51

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