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Chemical ID: 4923127
Chemical ID:
4923127
Name [?]:
phenyl 3-(dimethylcarbamoylmethyl)-3-ethyl-2,6-dihydropyridine-1-carboxylate
SMILES [?]:
CCC1(CN(CC=C1)C(=O)Oc2ccccc2)CC(=O)N(C)C
InChi [?]:
InChI=1/C18H24N2O3/c1-4-18(13-16(21)19(2)3)11-8-12-20(14-18)17(22)23-15-9-6-5-7-10-15/h5-11H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,15,14,16,7,13,17,8,6,18,4,12,19,9,3,21,5,20,10,11/E:(2,3)(6,7)(9,10)/rA:23cCCCCNCCCCOOCCCCCCCCONCC/rB:s1;s2;s3;s4;s5;s6;s3d7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.27 |
Area: | 523.489 |
Solvation: | -2.81725 |
Coulombic: | -46.7643 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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