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Chemical ID: 4864182
Chemical ID:
4864182
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-1-(2-morpholinoethyl)-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H32N2O6/c1-3-15-35-22-6-4-5-20(18-22)24-23(25(30)19-7-9-21(33-2)10-8-19)26(31)27(32)29(24)12-11-28-13-16-34-17-14-28/h4-10,18,24,31H,3,11-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,2,7,8,6,29,33,30,32,18,17,20,24,3,21,23,10,28,9,31,5,12,11,26,13,14,19,16,27,25,15,34,22,4/E:(7,8)(9,10)(13,14)(16,17)/rA:35cCCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s19s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7894 |
Area: | 745.983 |
Solvation: | -7.86019 |
Coulombic: | -70.8003 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.26 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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