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Chemical ID: 6876252
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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Experimental Annotations
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Descriptor Annotations
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