Chemical ID: 6011568

CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)Cl)Cl)C(=O)C
Chemical ID:
6011568
Name [?]:
N-[[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)Cl)Cl)C(=O)C
InChi [?]:
InChI=1/C25H29Cl2N3O2/c1-17(2)14-30(18(3)31)16-25(32)29(15-19-8-9-22(26)23(27)12-19)11-10-20-13-28-24-7-5-4-6-21(20)24/h4-9,12-13,17,28H,10-11,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,32,18,19,17,20,23,24,11,10,27,13,4,21,6,2,30,22,12,16,25,26,15,7,29,28,14,9,5,31,8/E:(1,2)/rA:32nCCCCNCCONCCCCNCCCCCCCCCCCCCClClCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s26;s25;s5;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29Cl2N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.0905
Area:709.427
Solvation:-4.6452
Coulombic:-44.4443
Bond Count [?]
All:34
Single:25
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:474.422
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.14
LogP (Chemaxon):5.09

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Descriptor Annotations

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