Chemical ID: 6585416

CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccc(cc2)OC)C(=O)C
Chemical ID:
6585416
Name [?]:
methyl 5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccc(cc2)OC)C(=O)C
InChi [?]:
InChI=1/C18H21NO4/c1-10-15(12(3)20)17(13-6-8-14(22-4)9-7-13)16(11(2)19-10)18(21)23-5/h6-9,17,19H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,23,20,12,14,18,15,17,2,6,21,13,16,3,5,4,9,7,22,10,19,11/E:(6,7)(8,9)/rA:23cCCCCCCNCCOOCCCCCCCOCCOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s5;d9;s9;s11;s4;s13;d14;s15;d16;d13s17;s16;s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.87699
Area:483.075
Solvation:-4.19989
Coulombic:-44.223
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.3
LogP (Chemaxon):0.55

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