Chemical ID: 6343225

CC(C)CC(=O)Nc1nc(cs1)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
6343225
Name [?]:
3-methyl-N-[4-(4-nitrophenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1nc(cs1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H15N3O3S/c1-9(2)7-13(18)16-14-15-12(8-21-14)10-3-5-11(6-4-10)17(19)20/h3-6,8-9H,7H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,15,17,4,11,2,13,16,10,5,8,9,7,19,6,20,21,12/E:(1,2)(3,4)(5,6)(19,20)/CRV:17.5/rA:21nCCCCCONCNCCSCCCCCCN+OO-/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.86108
Area:510.836
Solvation:-7.90983
Coulombic:-37.8774
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.353
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):4.02

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Descriptor Annotations

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