Chemical ID: 7385874

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCOC
Chemical ID:
7385874
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCOC
InChi [?]:
InChI=1/C22H21NO6/c1-12-4-7-16-14(10-12)20(25)18-19(13-5-6-15(24)17(11-13)28-3)23(8-9-27-2)22(26)21(18)29-16/h4-7,10-11,19,24H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,24,3,18,19,4,26,27,7,22,2,17,6,20,5,21,10,16,8,11,13,15,25,9,14,28,23,12/rA:29cCCCCCCCCOCCOCONCCCCCCCOCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s15;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO6
All Atoms:50
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.39545
Area:596.361
Solvation:-6.51358
Coulombic:-65.6973
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.405
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.42

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Descriptor Annotations

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