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Chemical ID: 6012752

COCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4cccc(c4)Cl

Chemical ID:

6012752

Name [?]:

3-chloro-N-[[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(2-methoxyethyl)benzamide

SMILES [?]:

COCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(cc3)F)C(=O)c4cccc(c4)Cl

InChi [?]:

InChI=1/C29H29ClFN3O3/c1-37-16-15-34(29(36)22-5-4-6-24(30)17-22)20-28(35)33(19-21-9-11-25(31)12-10-21)14-13-23-18-32-27-8-3-2-7-26(23)27/h2-12,17-18,32H,13-16,19-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,19,33,32,34,17,20,23,27,24,26,11,10,4,3,36,13,21,6,22,31,12,35,25,16,15,7,29,37,28,14,9,5,8,30,2/E:(9,10)(11,12)/rA:37nCOCCNCCONCCCCNCCCCCCCCCCCCCFCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s25;s5;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉ClFN₃O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4783
Area:	756.134
Solvation:	-7.4251
Coulombic:	-56.9608

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	522.01
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.12
LogP (Chemaxon):	5.06

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

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Chemical Mix	Source	External ID	Descriptor	Value