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Chemical ID: 7305880
Chemical ID:
7305880
Name [?]:
(3,5-dimethyl-1-piperidyl)-(4-morpholino-3-nitro-phenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3)C
InChi [?]:
InChI=1/C18H25N3O4/c1-13-9-14(2)12-20(11-13)18(22)15-3-4-16(17(10-15)21(23)24)19-5-7-25-8-6-19/h3-4,10,13-14H,5-9,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,11,12,20,24,21,23,3,15,7,5,2,4,10,13,14,8,19,6,16,9,17,18,22/E:(1,2)(5,6)(7,8)(11,12)(13,14)(23,24)/CRV:21.5/rA:25cCCCCCNCCOCCCCCCN+OO-NCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s19;s20;s21;s22;s19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O4 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.06524 |
Area: | 543.079 |
Solvation: | -9.51173 |
Coulombic: | -42.5116 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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