Chemical ID: 5627994

Cc1ccc2c(c1)C(N(CC(=O)N2)C(=O)c3ccccc3Cl)c4ccccc4
Chemical ID:
5627994
Name [?]:
5-(2-chlorobenzoyl)-9-methyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
Cc1ccc2c(c1)C(N(CC(=O)N2)C(=O)c3ccccc3Cl)c4ccccc4
InChi [?]:
InChI=1/C23H19ClN2O2/c1-15-11-12-20-18(13-15)22(16-7-3-2-4-8-16)26(14-21(27)25-20)23(28)17-9-5-6-10-19(17)24/h2-13,22H,14H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,18,19,24,28,17,20,3,4,7,10,2,23,16,6,21,5,11,8,14,22,13,9,12,15/E:(3,4)(7,8)/rA:28cCCCCCCCCNCCONCOCCCCCCClCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s5s11;s9;d14;s14;s16;d17;s18;d19;d16s20;s21;s8;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19ClN2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.4595
Area:552.144
Solvation:-3.34411
Coulombic:-40.983
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.862
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.83

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