Chemical ID: 6041990

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
Chemical ID:
6041990
Name [?]:
8-(1,1-dimethylpropyl)-5-(3-pyrrolidin-1-ylcarbonylpropyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
InChi [?]:
InChI=1/C21H30N2O3/c1-4-21(2,3)16-9-10-18-17(14-16)23(20(25)15-26-18)13-7-8-19(24)22-11-5-6-12-22/h9-10,14H,4-8,11-13,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,24,25,18,19,7,8,23,26,17,11,15,6,10,9,20,13,3,22,12,21,14,16/E:(2,3)(5,6)(11,12)/rA:26nCCCCCCCCCCCNCOCOCCCCONCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;s18;s19;d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8066
Area:592.249
Solvation:-3.99967
Coulombic:-40.9952
Bond Count [?]
All:28
Single:23
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.475
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):2.55

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