Chemical ID: 5973539

Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(o3)C(=O)N4CC(OC(C4)C)C
Chemical ID:
5973539
Name [?]:
2-[[5-(2,6-dimethylmorpholin-4-yl)carbonyl-2-furyl]methyl]-8-methyl-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(o3)C(=O)N4CC(OC(C4)C)C
InChi [?]:
InChI=1/C21H24N2O5/c1-13-4-6-17-19(8-13)26-12-20(24)23(17)11-16-5-7-18(28-16)21(25)22-9-14(2)27-15(3)10-22/h4-8,14-15H,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,3,15,4,16,7,26,22,13,9,2,25,23,14,5,17,6,10,19,21,12,11,20,8,24,18/E:(2,3)(9,10)(14,15)/rA:28cCCCCCCCOCCONCCCCCOCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;d14;s15;d16;s14s17;s17;d19;s19;s21;s22;s23;s24;s21s25;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:9.33022
Area:577.4
Solvation:-5.10477
Coulombic:-58.9699
Bond Count [?]
All:31
Single:24
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.426
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):1.18

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Descriptor Annotations

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