Chemical ID: 5911895

c1cc(oc1)CN(CC2CCCO2)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)Cl
Chemical ID:
5911895
Name [?]:
4-chloro-N-cyclopropyl-N-[(2-furylmethyl-(tetrahydrofuran-2-ylmethyl)carbamoyl)methyl]benzamide
SMILES [?]:
c1cc(oc1)CN(CC2CCCO2)C(=O)CN(C3CC3)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H25ClN2O4/c23-17-7-5-16(6-8-17)22(27)25(18-9-10-18)15-21(26)24(13-19-3-1-11-28-19)14-20-4-2-12-29-20/h1,3,5-8,11,18,20H,2,4,9-10,12-15H2
InChi Info:
AuxInfo=1/0/N:1,11,2,10,24,28,25,27,19,20,5,12,6,8,16,23,26,18,3,9,14,21,29,7,17,15,22,4,13/E:(5,6)(7,8)(9,10)/rA:29cCCCOCCNCCCCCOCOCNCCCCOCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s10;s11;s9s12;s7;d14;s14;s16;s17;s18;s18s19;s17;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25ClN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.6281
Area:579.645
Solvation:-5.86304
Coulombic:-47.4284
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.898
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.81
LogP (Chemaxon):2.23

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Descriptor Annotations

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