Chemical ID: 7029590

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)O
Chemical ID:
7029590
Name [?]:
1-(2-dimethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)O
InChi [?]:
InChI=1/C23H24N2O6/c1-24(2)9-10-25-20(14-3-6-16(26)7-4-14)19(22(28)23(25)29)21(27)15-5-8-17-18(13-15)31-12-11-30-17/h3-8,13,20,26,28H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,30,16,27,29,17,4,5,23,22,20,25,15,28,18,19,8,7,13,9,10,2,6,31,14,12,11,24,21/E:(1,2)(3,4)(6,7)/rA:31cCNCCCNCCCCOOCOCCCCCCOCCOCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O6
All Atoms:55
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.30024
Area:644.455
Solvation:-6.81113
Coulombic:-79.1847
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.447
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.27
LogP (Chemaxon):-1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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