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Chemical ID: 5908947
Chemical ID:
5908947
Name [?]:
3-chloro-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-furylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
COCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccco2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C28H33ClN2O6/c1-34-15-6-13-31(28(33)22-7-4-8-23(29)18-22)20-27(32)30(19-24-9-5-16-37-24)14-12-21-10-11-25(35-2)26(17-21)36-3/h4-5,7-11,16-18H,6,12-15,19-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,33,26,4,32,34,25,14,15,12,5,11,3,27,18,36,23,7,13,31,35,24,16,17,8,29,37,10,6,9,30,2,21,19,28/rA:37nCOCCCNCCONCCCCCCCCOCOCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;s6;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33ClN2O6 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6741 |
Area: | 805.753 |
Solvation: | -9.46969 |
Coulombic: | -63.1031 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 529.024 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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