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Chemical ID: 5973531
Chemical ID:
5973531
Name [?]:
5-[(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N,N-dipropyl-furan-2-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1ccc(o1)CN2c3ccc(cc3OCC2=O)C
InChi [?]:
InChI=1/C21H26N2O4/c1-4-10-22(11-5-2)21(25)18-9-7-16(27-18)13-23-17-8-6-15(3)12-19(17)26-14-20(23)24/h6-9,12H,4-5,10-11,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,27,2,6,19,12,18,11,3,5,21,15,24,20,13,17,10,22,25,8,4,16,26,9,23,14/E:(1,2)(4,5)(10,11)/rA:27nCCCNCCCCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4615 |
Area: | 572.016 |
Solvation: | -3.83887 |
Coulombic: | -51.7837 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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