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Chemical ID: 5927358
Chemical ID:
5927358
Name [?]:
3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholinoethyl)-3-(3-phenoxyphenyl)-propanamide
SMILES [?]:
CCc1cccc2c1[nH]cc2C(CC(=O)NCCN3CCOCC3)c4cccc(c4)Oc5ccccc5
InChi [?]:
InChI=1/C31H35N3O3/c1-2-23-8-7-13-27-29(22-33-31(23)27)28(21-30(35)32-14-15-34-16-18-36-19-17-34)24-9-6-12-26(20-24)37-25-10-4-3-5-11-25/h3-13,20,22,28,33H,2,14-19,21H2,1H3,(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,2,35,34,36,27,5,4,26,33,37,28,6,17,18,20,24,21,23,30,13,10,3,25,32,29,7,12,11,14,8,16,9,19,15,22,31/E:(4,5)(10,11)(16,17)(18,19)/rA:37cCCCCCCCCNCCCCCONCCNCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;s19s23;s12;s25;d26;s27;d28;d25s29;s29;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H35N3O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4581 |
Area: | 765.951 |
Solvation: | -5.69064 |
Coulombic: | -54.1751 |
Bond Count [?]
All: | 41 |
Single: | 30 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 497.628 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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