Chemical ID: 4515728

CC(C(=O)NN=Cc1ccc(cc1)OC)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
4515728
Name [?]:
2-(3,4-dichlorophenyl)amino-N-[(4-methoxyphenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H17Cl2N3O2/c1-11(21-13-5-8-15(18)16(19)9-13)17(23)22-20-10-12-3-6-14(24-2)7-4-12/h3-11,21H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,9,13,18,10,12,19,22,7,2,8,17,11,20,21,3,24,23,6,16,5,4,14/E:(3,4)(6,7)/rA:24cCCCONNCCCCCCCOCNCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s2;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17Cl2N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.57855
Area:583.27
Solvation:-5.00319
Coulombic:-38.635
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:366.241
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.09
LogP (Chemaxon):4.16

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