Chemical ID: 6409621

c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N2CCCCCC2)NN=C3CCCCCC3
Chemical ID:
6409621
Name [?]:
2-azepan-1-ylsulfonyl-N-cycloheptylideneamino-4-nitro-aniline
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N2CCCCCC2)NN=C3CCCCCC3
InChi [?]:
InChI=1/C19H28N4O4S/c24-23(25)17-11-12-18(21-20-16-9-5-1-2-6-10-16)19(15-17)28(26,27)22-13-7-3-4-8-14-22/h11-12,15,21H,1-10,13-14H2
InChi Info:
AuxInfo=1/0/N:25,26,16,17,24,27,15,18,23,28,1,2,14,19,5,22,6,3,4,21,20,13,7,8,9,11,12,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(24,25)(26,27)/CRV:23.5,28.6/rA:28nCCCCCCN+OO-SOONCCCCCCNNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;s17;s13s18;s3;s20;d21;s22;s23;s24;s25;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N4O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.98194
Area:592.741
Solvation:-7.83659
Coulombic:-26.9143
Bond Count [?]
All:30
Single:23
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.516
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.83
LogP (Chemaxon):4.86

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Descriptor Annotations

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