Chemical ID: 5907430

Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)c4ccc5c(c4)OCO5
Chemical ID:
5907430
Name [?]:
N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
Cc1ccccc1CC(=O)N2CCN(CC2)c3ccc(cc3)NC(=O)c4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C27H27N3O4/c1-19-4-2-3-5-20(19)17-26(31)30-14-12-29(13-15-30)23-9-7-22(8-10-23)28-27(32)21-6-11-24-25(16-21)34-18-33-24/h2-11,16H,12-15,17-18H2,1H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,27,19,21,18,22,28,13,15,12,16,31,8,33,2,7,26,20,17,29,30,9,24,23,14,11,10,25,34,32/E:(7,8)(9,10)(12,13)(14,15)/rA:34nCCCCCCCCCONCCNCCCCCCCCNCOCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27N3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.3946
Area:698.665
Solvation:-6.07199
Coulombic:-59.4066
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:457.521
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.36
LogP (Chemaxon):4.47

Name Annotations

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Descriptor Annotations

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