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Chemical ID: 6018489
Chemical ID:
6018489
Name [?]:
3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)-N-(3-pyridylmethyl)propanamide
SMILES [?]:
Cn1cc(c2c1cccc2)C(CC(=O)NCc3cccnc3)c4cccc(c4)Oc5ccccc5
InChi [?]:
InChI=1/C30H27N3O2/c1-33-21-28(26-14-5-6-15-29(26)33)27(18-30(34)32-20-22-9-8-16-31-19-22)23-10-7-13-25(17-23)35-24-11-3-2-4-12-24/h2-17,19,21,27H,18,20H2,1H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,33,32,34,9,8,25,19,18,24,31,35,26,10,7,20,28,12,22,16,3,17,23,30,27,5,11,4,6,13,21,15,2,14,29/E:(3,4)(11,12)/rA:35cCNCCCCCCCCCCCONCCCCCNCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s11;s23;d24;s25;d26;d23s27;s27;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27N3O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0129 |
Area: | 714.374 |
Solvation: | -4.84647 |
Coulombic: | -40.7471 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 461.554 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.21 |
LogP (Chemaxon): | 5.54 |
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.
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