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Chemical ID: 6550191
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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