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Chemical ID: 6324077
Chemical ID:
6324077
Name [?]:
N-cyclohexyl-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)-butanamide
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C18H21N3O5/c22-15(19-12-6-2-1-3-7-12)10-5-11-20-17(23)13-8-4-9-14(21(25)26)16(13)18(20)24/h4,8-9,12H,1-3,5-7,10-11H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:24,23,25,1,16,22,26,2,6,17,15,21,3,5,18,4,13,10,20,12,7,19,14,11,8,9/E:(2,3)(6,7)(25,26)/CRV:21.5/rA:26nCCCCCCN+OO-CONCOCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.61818 |
Area: | 574.623 |
Solvation: | -10.7474 |
Coulombic: | -53.1015 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.42 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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