Chemical ID: 6471452

c1ccc2c(c1)cccc2NC(=O)C3=C4NCCCN4C(CC3=O)c5ccc(cc5)Cl
Chemical ID:
6471452
Name [?]:
7-(4-chlorophenyl)-N-(1-naphthyl)-9-oxo-2,6-diazabicyclo[4.4.0]dec-10-ene-10-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)C3=C4NCCCN4C(CC3=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H22ClN3O2/c26-18-11-9-17(10-12-18)21-15-22(30)23(24-27-13-4-14-29(21)24)25(31)28-20-8-3-6-16-5-1-2-7-19(16)20/h1-3,5-12,21,27H,4,13-15H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,8,18,6,7,3,9,26,30,27,29,17,19,22,5,25,28,4,10,21,23,14,15,12,31,16,11,20,24,13/E:(9,10)(11,12)/rA:31cCCCCCCCCCCNCOCCNCCCNCCCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;d14;s15;s16;s17;s18;s15s19;s20;s21;s14s22;d23;s21;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22ClN3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.6067
Area:621.193
Solvation:-2.92313
Coulombic:-50.3753
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:431.914
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.21
LogP (Chemaxon):5.01

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Descriptor Annotations

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