Chemical ID: 6824327

CCOc1ccc(cc1)NC(c2c[nH]c3c2cccc3)P4(=O)OCC(CO4)(C)C
Chemical ID:
6824327
Name [?]:
N-[(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-(1H-indol-3-yl)methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NC(c2c[nH]c3c2cccc3)P4(=O)OCC(CO4)(C)C
InChi [?]:
InChI=1/C22H27N2O4P/c1-4-26-17-11-9-16(10-12-17)24-21(29(25)27-14-22(2,3)15-28-29)19-13-23-20-8-6-5-7-18(19)20/h5-13,21,23-24H,4,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,18,19,17,20,6,8,5,9,13,24,26,7,4,16,12,15,11,25,14,10,22,3,23,27,21/E:(2,3)(9,10)(11,12)(14,15)(27,28)/rA:29cCCOCCCCCCNCCCNCCCCCCPOOCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s11;d21;s21;s23;s24;s25;s21s26;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N2O4P
All Atoms:56
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.6493
Area:618.792
Solvation:-4.82046
Coulombic:-58.5598
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):4.28

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Descriptor Annotations

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