Chemical ID: 4059894

Cc1cccc(c1NC(=O)N2CCc3cc(c(cc3C2)OC)OC)C(C)C
Chemical ID:
4059894
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCc3cc(c(cc3C2)OC)OC)C(C)C
InChi [?]:
InChI=1/C22H28N2O3/c1-14(2)18-8-6-7-15(3)21(18)23-22(25)24-10-9-16-11-19(26-4)20(27-5)12-17(16)13-24/h6-8,11-12,14H,9-10,13H2,1-5H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,24,22,4,3,5,13,12,15,18,20,25,2,14,19,6,16,17,7,9,8,11,10,23,21/E:(1,2)/rA:27nCCCCCCCNCONCCCCCCCCCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s16;s23;s6;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.95149
Area:585.76
Solvation:-5.69251
Coulombic:-44.7168
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.469
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):3.21

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Descriptor Annotations

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