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Chemical ID: 6050043
Chemical ID:
6050043
Name [?]:
N-[2-(benzo[1,3]dioxol-5-ylmethylcarbamoyl)ethyl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)furan-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)N(CCC(=O)NCc2ccc3c(c2)OCO3)CC4CCCO4
InChi [?]:
InChI=1/C22H26N2O6/c1-15-18(7-10-27-15)22(26)24(13-17-3-2-9-28-17)8-6-21(25)23-12-16-4-5-19-20(11-16)30-14-29-19/h4-5,7,10-11,17H,2-3,6,8-9,12-14H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,27,17,18,11,4,10,29,5,21,15,25,23,2,16,26,3,19,20,12,7,14,9,13,8,6,30,24,22/rA:30cCCCCCOCONCCCONCCCCCCCOCOCCCCCO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s9;s25;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.2049 |
Area: | 655.539 |
Solvation: | -7.18356 |
Coulombic: | -66.7066 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 414.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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