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Chemical ID: 5973460
Chemical ID:
5973460
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-5-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)c1ccc(o1)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C23H31N3O4/c1-4-25(5-2)14-8-9-17(3)24-23(28)21-13-12-18(30-21)15-26-19-10-6-7-11-20(19)29-16-22(26)27/h6-7,10-13,17H,4-5,8-9,14-16H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,23,24,7,8,22,25,16,15,6,19,28,9,17,21,26,14,29,12,11,3,20,30,13,27,18/E:(1,2)(4,5)/rA:30cCCNCCCCCCCNCOCCCCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1963 |
Area: | 678.213 |
Solvation: | -4.75902 |
Coulombic: | -60.5929 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 413.51 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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