Chemical ID: 6005211

Cc1cc(no1)NC(=O)CN(CC2CCCCC2)C(=O)c3cccc(c3)Br
Chemical ID:
6005211
Name [?]:
3-bromo-N-(cyclohexylmethyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CC2CCCCC2)C(=O)c3cccc(c3)Br
InChi [?]:
InChI=1/C20H24BrN3O3/c1-14-10-18(23-27-14)22-19(25)13-24(12-15-6-3-2-4-7-15)20(26)16-8-5-9-17(21)11-16/h5,8-11,15H,2-4,6-7,12-13H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,23,14,18,22,24,3,26,12,10,2,13,21,25,4,8,19,27,7,5,11,9,20,6/E:(3,4)(6,7)/rA:27nCCCCNONCOCNCCCCCCCCOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24BrN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2059
Area:596.203
Solvation:-3.69918
Coulombic:-42.757
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:434.327
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):4.18

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