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Chemical ID: 6042761
Chemical ID:
6042761
Name [?]:
N-(3,4-dimethylphenyl)-5-[(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C23H22N2O4/c1-14-4-8-20-19(10-14)25(22(26)13-28-20)12-18-7-9-21(29-18)23(27)24-17-6-5-15(2)16(3)11-17/h4-11H,12-13H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,28,3,24,23,15,4,16,7,27,13,11,2,25,26,22,14,6,5,17,9,19,21,8,10,20,12,18/rA:29nCCCCCCCNCOCOCCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s15;d16;s14s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3957 |
Area: | 612.133 |
Solvation: | -3.90766 |
Coulombic: | -55.8056 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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