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Chemical ID: 6016283
Chemical ID:
6016283
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-3-chloro-N-(3-morpholinopropyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(CCCN3CCOCC3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C28H32ClN3O4/c29-25-10-4-9-24(19-25)28(34)31(13-6-12-30-14-17-35-18-15-30)22-27(33)32(21-26-11-5-16-36-26)20-23-7-2-1-3-8-23/h1-5,7-11,16,19H,6,12-15,17-18,20-22H2
InChi Info:
AuxInfo=1/0/N:1,2,6,32,12,20,3,5,31,33,11,21,19,23,27,13,24,26,35,7,9,17,4,30,34,10,15,28,36,22,18,8,16,29,25,14/E:(2,3)(7,8)(14,15)(17,18)/rA:36nCCCCCCCNCCCCCOCOCNCCCNCCOCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s18;d28;s28;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32ClN3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5128 |
Area: | 762.153 |
Solvation: | -6.54101 |
Coulombic: | -55.2796 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 510.024 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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