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Chemical ID: 5911895
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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