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Chemical ID: 6012452

CCOc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C4CC4)C(=O)COC

Chemical ID:

6012452

Name [?]:

2-[cyclopropyl-(2-methoxyacetyl)-amino]-N-[(4-ethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES [?]:

CCOc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C4CC4)C(=O)COC

InChi [?]:

InChI=1/C27H33N3O4/c1-3-34-23-12-8-20(9-13-23)17-29(15-14-21-16-28-25-7-5-4-6-24(21)25)26(31)18-30(22-10-11-22)27(32)19-33-2/h4-9,12-13,16,22,28H,3,10-11,14-15,17-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,2,20,21,19,22,6,8,28,29,5,9,13,12,15,10,25,32,7,14,27,4,18,17,23,30,16,11,26,24,31,33,3/E:(8,9)(10,11)(12,13)/rA:34nCCOCCCCCCCNCCCCNCCCCCCCOCNCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s11;d23;s23;s25;s26;s27;s27s28;s26;d30;s30;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₃N₃O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7741
Area:	733.789
Solvation:	-7.57068
Coulombic:	-59.074

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	463.569
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.18
LogP (Chemaxon):	3.05

Name Annotations

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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