Chemical ID: 6187605

c1cc2c(c(c1)OCC(=O)N3CCOCC3)CCN(C2=O)Cc4ccc(cc4)Cl
Chemical ID:
6187605
Name [?]:
2-[(4-chlorophenyl)methyl]-5-(morpholinocarbonylmethoxy)-3,4-dihydroisoquinolin-1-one
SMILES [?]:
c1cc2c(c(c1)OCC(=O)N3CCOCC3)CCN(C2=O)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H23ClN2O4/c23-17-6-4-16(5-7-17)14-25-9-8-18-19(22(25)27)2-1-3-20(18)29-15-21(26)24-10-12-28-13-11-24/h1-7H,8-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,28,25,27,17,18,12,16,13,15,22,8,23,26,4,3,5,9,20,29,11,19,10,21,14,7/E:(4,5)(6,7)(10,11)(12,13)/rA:29nCCCCCCOCCONCCOCCCCNCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s4;s17;s18;s3s19;d20;s19;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.61925
Area:631.409
Solvation:-6.16598
Coulombic:-49.9369
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.882
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.58
LogP (Chemaxon):2.04

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Descriptor Annotations

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