Chemical ID: 7029607

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4Cl)Cl
Chemical ID:
7029607
Name [?]:
5-(2,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H22Cl2N2O5/c1-26(2)7-8-27-20(15-5-4-14(24)12-16(15)25)19(22(29)23(27)30)21(28)13-3-6-17-18(11-13)32-10-9-31-17/h3-6,11-12,20,29H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,27,26,17,4,5,23,22,20,29,15,28,25,30,18,19,8,7,13,9,10,32,31,2,6,14,12,11,24,21/E:(1,2)/rA:32cCNCCCNCCCCOOCOCCCCCCOCCOCCCCCCClCl/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;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22Cl2N2O5
All Atoms:54
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.5019
Area:676.076
Solvation:-5.39996
Coulombic:-64.7869
Bond Count [?]
All:35
Single:26
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:477.337
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.92
LogP (Chemaxon):-0.05

Name Annotations

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Descriptor Annotations

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