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Chemical ID: 5976443
Chemical ID:
5976443
Name [?]:
5-(2-bromobenzoyl)amino-2-dimethylamino-N-(2-methoxyethyl)benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCCOC)NC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C19H22BrN3O3/c1-23(2)17-9-8-13(12-15(17)18(24)21-10-11-26-3)22-19(25)14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,16,22,23,21,24,6,5,13,14,8,7,20,9,25,4,10,18,26,12,17,2,11,19,15/E:(1,2)/rA:26nCNCCCCCCCCONCCOCNCOCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22BrN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3312 |
Area: | 596.472 |
Solvation: | -5.58061 |
Coulombic: | -55.9115 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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