Chemical ID: 7029418

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Oc5ccccc5
Chemical ID:
7029418
Name [?]:
1-(3-dimethylaminopropyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-phenoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Oc5ccccc5
InChi [?]:
InChI=1/C30H30N2O6/c1-31(2)14-7-15-32-27(20-8-6-11-23(18-20)38-22-9-4-3-5-10-22)26(29(34)30(32)35)28(33)21-12-13-24-25(19-21)37-17-16-36-24/h3-6,8-13,18-19,27,34H,7,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,36,35,37,28,5,27,34,38,29,17,18,4,6,24,23,31,21,26,16,33,30,19,20,9,8,14,10,11,2,7,15,13,12,25,22,32/E:(1,2)(4,5)(9,10)/rA:38cCNCCCCNCCCCOOCOCCCCCCOCCOCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s8;s26;d27;s28;d29;d26s30;s30;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N2O6
All Atoms:68
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.4726
Area:775.373
Solvation:-6.9117
Coulombic:-72.3245
Bond Count [?]
All:42
Single:30
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:514.569
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.51
LogP (Chemaxon):0.1

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Descriptor Annotations

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