Chemical ID: 7277955

CN(CC(=O)Nc1cc(ccc1OC)Cl)C(=O)c2cn3ccccc3n2
Chemical ID:
7277955
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)carbamoylmethyl]-N-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxamide
SMILES [?]:
CN(CC(=O)Nc1cc(ccc1OC)Cl)C(=O)c2cn3ccccc3n2
InChi [?]:
InChI=1/C18H17ClN4O3/c1-22(18(25)14-10-23-8-4-3-5-16(23)20-14)11-17(24)21-13-9-12(19)6-7-15(13)26-2/h3-10H,11H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,23,22,24,10,11,21,8,19,3,9,7,18,12,25,4,16,15,26,6,2,20,5,17,13/rA:26nCNCCONCCCCCCOCClCOCCNCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s9;s2;d16;s16;d18;s19;s20;d21;s22;d23;s20s24;s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN4O3
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.5714
Area:562.814
Solvation:-4.49895
Coulombic:-57.3843
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.805
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.83
LogP (Chemaxon):2.23

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