Chemical ID: 6550191

Cc1ccc2c(c1)c(c(n2CC(CN(CCOC)CCOC)O)c3ccccc3)c4ccccc4
Chemical ID:
6550191
Name [?]:
1-[bis(2-methoxyethyl)amino]-3-(5-methyl-2,3-diphenyl-indol-1-yl)-propan-2-ol
SMILES [?]:
Cc1ccc2c(c1)c(c(n2CC(CN(CCOC)CCOC)O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C30H36N2O3/c1-23-14-15-28-27(20-23)29(24-10-6-4-7-11-24)30(25-12-8-5-9-13-25)32(28)22-26(33)21-31(16-18-34-2)17-19-35-3/h4-15,20,26,33H,16-19,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,22,33,27,32,34,26,28,31,35,25,29,3,4,15,19,16,20,7,13,11,2,30,24,12,6,5,8,9,14,10,23,17,21/E:(2,3)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)(34,35)/rA:35cCCCCCCCCCNCCCNCCOCCCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s13;s14;s15;s16;s17;s14;s19;s20;s21;s12;s9;s24;d25;s26;d27;d24s28;s8;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H36N2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.38523
Area:720.996
Solvation:-8.63968
Coulombic:-44.4777
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:472.619
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.53
LogP (Chemaxon):5.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue