Chemical ID: 5164138

COc1cc2c(cc1OC)C3CNC(=O)C3C(C2)c4ccccc4
Chemical ID:
5164138
Name [?]:
None
SMILES [?]:
COc1cc2c(cc1OC)C3CNC(=O)C3C(C2)c4ccccc4
InChi [?]:
InChI=1/C20H21NO3/c1-23-17-9-13-8-15(12-6-4-3-5-7-12)19-16(11-21-20(19)22)14(13)10-18(17)24-2/h3-7,9-10,15-16,19H,8,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,23,20,24,18,4,7,12,19,5,6,17,11,3,8,16,14,13,15,2,9/E:(4,5)(6,7)/rA:24cCOCCCCCCOCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s11s14;s16;s5s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:6.42265
Area:501.511
Solvation:-6.11512
Coulombic:-35.3325
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):2.54

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Descriptor Annotations

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