Chemical ID: 6693962

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC
Chemical ID:
6693962
Name [?]:
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC
InChi [?]:
InChI=1/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,25,12,15,16,14,17,2,6,13,18,3,5,4,22,9,7,19,23,10,20,21,24,11/E:(1,2)(3,4)(9,10)(13,14)(16,17)(20,21)(22,23)(24,25)/CRV:19.5/rA:25nCCCCCCNCCOOCCCCCCCNOOCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s5;d9;s9;s11;s4;s13;d14;s15;d16;d13s17;s18;d19;d19;s3;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.93746
Area:492.11
Solvation:-7.36528
Coulombic:-61.3568
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.335
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.37
LogP (Chemaxon):0.24

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Descriptor Annotations

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