Chemical ID: 7334208

c1ccc(cc1)C(c2ccccc2)NCC(COC(c3ccccc3)c4ccccc4)O
Chemical ID:
7334208
Name [?]:
1-benzhydrylamino-3-benzhydryloxy-propan-2-ol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NCC(COC(c3ccccc3)c4ccccc4)O
InChi [?]:
InChI=1/C29H29NO2/c31-27(21-30-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-32-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-31H,21-22H2
InChi Info:
AuxInfo=1/0/N:1,11,23,29,2,6,10,12,22,24,28,30,3,5,9,13,21,25,27,31,15,17,4,8,20,26,16,7,19,14,32,18/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(23,24)(25,26)/rA:32cCCCCCCCCCCCCCNCCCOCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29NO2
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.3022
Area:707.077
Solvation:-5.37467
Coulombic:-40.4354
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.546
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):6.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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