Chemical ID: 6012656

CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4cccc(c4)Cl
Chemical ID:
6012656
Name [?]:
3-chloro-N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C30H32ClN3O3/c1-21(2)34(30(36)22-10-8-11-25(31)17-22)20-29(35)33(19-24-9-4-7-14-28(24)37-3)16-15-23-18-32-27-13-6-5-12-26(23)27/h4-14,17-18,21,32H,15-16,19-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,23,17,18,24,33,22,32,34,16,19,25,10,9,36,12,20,5,2,31,11,21,35,15,14,26,6,29,37,13,8,4,7,30,27/E:(1,2)/rA:37nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s26;s27;s4;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32ClN3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.1895
Area:717.545
Solvation:-4.7491
Coulombic:-55.1113
Bond Count [?]
All:40
Single:28
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:518.046
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.95
LogP (Chemaxon):5.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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