Chemical ID: 5864206

CN1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc4c(c3)OCO4
Chemical ID:
5864206
Name [?]:
N-[4-(4-methylpiperazin-1-yl)phenyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C19H21N3O3/c1-21-8-10-22(11-9-21)16-5-3-15(4-6-16)20-19(23)14-2-7-17-18(12-14)25-13-24-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,18,10,12,9,13,19,3,7,4,6,22,24,17,11,8,20,21,15,14,2,5,16,25,23/E:(3,4)(5,6)(8,9)(10,11)/rA:25nCNCCNCCCCCCCCNCOCCCCCCOCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.0226
Area:541.332
Solvation:-4.51071
Coulombic:-48.0059
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.388
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.6
LogP (Chemaxon):2.85

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