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Chemical ID: 5973539
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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