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Chemical ID: 5922020
Chemical ID:
5922020
Name [?]:
2-methyl-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCN2CCOCC2)CC(=O)N(CCc3ccccc3)Cc4ccc(o4)C
InChi [?]:
InChI=1/C30H37N3O4/c1-24-8-6-7-11-28(24)30(35)33(17-16-31-18-20-36-21-19-31)23-29(34)32(22-27-13-12-25(2)37-27)15-14-26-9-4-3-5-10-26/h3-13H,14-23H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,28,27,29,4,5,3,26,30,6,34,33,24,23,12,11,14,18,15,17,31,19,2,35,25,32,7,20,8,13,22,10,21,9,16,36/E:(4,5)(9,10)(18,19)(20,21)/rA:37nCCCCCCCCONCCNCCOCCCCONCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s22;s31;d32;s33;d34;s32s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H37N3O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.608 |
Area: | 765.772 |
Solvation: | -6.53626 |
Coulombic: | -55.4034 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 503.633 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.23 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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