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Chemical ID: 5908846
Chemical ID:
5908846
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-furylmethyl)carbamoyl]methyl]-4-ethyl-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccco3
InChi [?]:
InChI=1/C29H36N2O6/c1-5-22-8-11-24(12-9-22)29(33)31(16-18-34-2)21-28(32)30(20-25-7-6-17-37-25)15-14-23-10-13-26(35-3)27(19-23)36-4/h6-13,17,19H,5,14-16,18,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,31,29,2,35,34,4,8,23,5,7,24,21,20,12,36,13,27,32,16,3,22,6,33,25,26,17,9,19,11,18,10,14,30,28,37/E:(8,9)(11,12)/rA:37nCCCCCCCCCONCCOCCCONCCCCCCCCOCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11;s16;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s19;s32;d33;s34;d35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H36N2O6 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2491 |
Area: | 751.148 |
Solvation: | -8.52963 |
Coulombic: | -64.0136 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 508.606 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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