Chemical ID: 6876252

CC(C)c1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl)C(C)C
Chemical ID:
6876252
Name [?]:
4-[(2,5-dichlorophenyl)carbamoylmethoxy]-N-(2,6-diisopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl)C(C)C
InChi [?]:
InChI=1/C27H28Cl2N2O3/c1-16(2)21-6-5-7-22(17(3)4)26(21)31-27(33)18-8-11-20(12-9-18)34-15-25(32)30-24-14-19(28)10-13-23(24)29/h5-14,16-17H,15H2,1-4H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,33,34,6,5,7,14,18,27,15,17,28,25,20,2,32,13,26,16,4,8,29,24,21,9,11,31,30,23,10,22,12,19/E:(1,2,3,4)(6,7)(8,9)(11,12)(16,17)(21,22)/rA:34nCCCCCCCCCNCOCCCCCCOCCONCCCCCCClClCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;s8;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28Cl2N2O3
All Atoms:62
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.0278
Area:755.129
Solvation:-4.85044
Coulombic:-52.3392
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:499.428
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.28
LogP (Chemaxon):5.41

Name Annotations

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Descriptor Annotations

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