Chemical ID: 4085367

CN1CCc2cc3c(cc2C(=O)Cc4ccc(c(c4C1)OC)OC)OCO3
Chemical ID:
4085367
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(cc2C(=O)Cc4ccc(c(c4C1)OC)OC)OCO3
InChi [?]:
InChI=1/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,15,16,4,3,13,6,9,20,26,14,5,10,19,11,17,7,8,18,2,12,23,21,27,25/rA:27cCNCCCCCCCCCOCCCCCCCCOCOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s2s19;s18;s21;s17;s23;s8;s25;s7s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:6.89296
Area:530.935
Solvation:-6.38043
Coulombic:-43.6421
Bond Count [?]
All:30
Single:23
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.411
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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