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Chemical ID: 5937896
Chemical ID:
5937896
Name [?]:
N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-cyclobutanecarboxamide
SMILES [?]:
CCCCCN(Cc1cccn1Cc2ccccc2C)C(=O)C3CCC3
InChi [?]:
InChI=1/C23H32N2O/c1-3-4-7-15-25(23(26)20-12-8-13-20)18-22-14-9-16-24(22)17-21-11-6-5-10-19(21)2/h5-6,9-11,14,16,20H,3-4,7-8,12-13,15,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,3,17,16,4,25,10,18,15,24,26,9,5,11,13,7,19,23,14,8,21,12,6,22/E:(12,13)/rA:26nCCCCCNCCCCCNCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s6;d21;s21;s23;s24;s23s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1986 |
Area: | 597.153 |
Solvation: | -2.73025 |
Coulombic: | -24.2846 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.51 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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