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Chemical ID: 6458801
Chemical ID:
6458801
Name [?]:
1-[3-(2-hydroxy-3-isopropylamino-propoxy)phenoxy]-3-isopropylamino-propan-2-ol
SMILES [?]:
CC(C)NCC(COc1cccc(c1)OCC(CNC(C)C)O)O
InChi [?]:
InChI=1/C18H32N2O4/c1-13(2)19-9-15(21)11-23-17-6-5-7-18(8-17)24-12-16(22)10-20-14(3)4/h5-8,13-16,19-22H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,11,10,12,14,5,18,7,16,2,20,6,17,9,13,4,19,24,23,8,15/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCNCCCOCCCCCCOCCCNCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s18;s19;s20;s20;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.3269 |
Area: | 622.938 |
Solvation: | -8.24655 |
Coulombic: | -63.7969 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 340.458 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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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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