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Chemical ID: 6018489

Cn1cc(c2c1cccc2)C(CC(=O)NCc3cccnc3)c4cccc(c4)Oc5ccccc5

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.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value