Chemical ID: 3951274

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)Cc4ccccc4
Chemical ID:
3951274
Name [?]:
5-[(4-benzyl-1-piperidyl)carbonylmethyl]-8-methyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C23H26N2O3/c1-17-7-8-21-20(13-17)25(23(27)16-28-21)15-22(26)24-11-9-19(10-12-24)14-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,3,4,18,20,17,21,7,22,13,11,2,23,19,6,5,14,9,16,8,15,10,12/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCCCNCOCOCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3005
Area:595.584
Solvation:-4.58906
Coulombic:-42.251
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.464
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.36
LogP (Chemaxon):2.9

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Descriptor Annotations

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