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Chemical ID: 6127902
Chemical ID:
6127902
Name [?]:
N-[3-(1-ethylindol-3-yl)-1-methyl-propyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C24H30N2O4/c1-6-26-15-17(19-9-7-8-10-20(19)26)12-11-16(2)25-24(27)18-13-21(28-3)23(30-5)22(14-18)29-4/h7-10,13-16H,6,11-12H2,1-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,15,26,30,28,2,10,9,11,8,13,12,24,20,4,14,5,19,6,7,23,21,22,17,16,3,18,25,29,27/E:(3,4)(13,14)(21,22)(28,29)/rA:30cCCNCCCCCCCCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39983 |
Area: | 654.185 |
Solvation: | -6.9548 |
Coulombic: | -49.3212 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 410.506 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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