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Chemical ID: 4514457

CC(C)N(CC(COc1ccc(cc1)OCC(CN(C(C)C)C(C)C)O)O)C(C)C

Chemical ID:

4514457

Name [?]:

1-diisopropylamino-3-[4-(3-diisopropylamino-2-hydroxy-propoxy)phenoxy]-propan-2-ol

SMILES [?]:

CC(C)N(CC(COc1ccc(cc1)OCC(CN(C(C)C)C(C)C)O)O)C(C)C

InChi [?]:

InChI=1/C24H44N2O4/c1-17(2)25(18(3)4)13-21(27)15-29-23-9-11-24(12-10-23)30-16-22(28)14-26(19(5)6)20(7)8/h9-12,17-22,27-28H,13-16H2,1-8H3

InChi Info:

AuxInfo=1/0/N:1,3,29,30,21,22,24,25,10,14,11,13,5,18,7,16,2,28,20,23,6,17,9,12,4,19,27,26,8,15/E:(1,2,3,4,5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30cCCCNCCCOCCCCCCOCCCNCCCCCCOOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s19;s20;s20;s19;s23;s23;s17;s6;s4;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₄₄N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	2

ZAP Information [?]

Total:	9.65901
Area:	688.957
Solvation:	-7.56492
Coulombic:	-57.5953

Bond Count [?]

All:	30
Single:	27
Double:	3
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	424.617
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.75
LogP (Chemaxon):	3.78

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value