Chemical ID: 6014544

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)c3cc(cc(c3)Cl)Cl
Chemical ID:
6014544
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3,5-dichloro-N-isopropyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C25H26Cl2N2O3/c1-17(2)29(25(31)20-11-21(26)13-22(27)12-20)16-24(30)28(14-19-7-5-4-6-8-19)15-23-10-9-18(3)32-23/h4-13,17H,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:21,22,1,13,12,14,11,15,3,4,26,30,28,9,7,18,20,2,10,25,27,29,5,16,23,32,31,8,19,17,24,6/E:(1,2)(5,6)(7,8)(11,12)(21,22)(26,27)/rA:32nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20;s19;d23;s23;s25;d26;s27;d28;d25s29;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26Cl2N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.5994
Area:642.285
Solvation:-4.45772
Coulombic:-42.2162
Bond Count [?]
All:34
Single:24
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:473.391
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.36
LogP (Chemaxon):4.67

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Descriptor Annotations

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