Chemical ID: 6041980

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CC(OC(C3)C)C
Chemical ID:
6041980
Name [?]:
5-[(2,6-dimethylmorpholin-4-yl)carbonylmethyl]-8-(1,1-dimethylpropyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C21H30N2O4/c1-6-21(4,5)16-7-8-18-17(9-16)23(20(25)13-26-18)12-19(24)22-10-14(2)27-15(3)11-22/h7-9,14-15H,6,10-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,26,27,4,5,2,7,8,11,25,21,17,15,24,22,6,10,9,18,13,3,20,12,19,14,16,23/E:(2,3)(4,5)(10,11)(14,15)/rA:27cCCCCCCCCCCCNCOCOCCONCCOCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.45508
Area:591.64
Solvation:-5.33591
Coulombic:-49.4185
Bond Count [?]
All:29
Single:24
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.474
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.02
LogP (Chemaxon):2.28

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