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Chemical ID: 6011568
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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