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Chemical ID: 6014810
Chemical ID:
6014810
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-chloro-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCOC)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C26H27ClN2O6/c1-18-6-8-22(35-18)15-29(14-19-7-9-23-24(12-19)34-17-33-23)25(30)16-28(10-11-32-2)26(31)20-4-3-5-21(27)13-20/h3-9,12-13H,10-11,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,31,30,32,3,11,4,12,23,24,15,34,9,7,21,17,2,10,29,33,5,13,14,19,27,35,22,8,20,28,25,18,16,6/rA:35nCCCCCOCNCCCCCCCOCOCOCNCCOCCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29987 |
Area: | 700.327 |
Solvation: | -8.2083 |
Coulombic: | -63.6975 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 498.955 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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