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Chemical ID: 7015702
Chemical ID:
7015702
Name [?]:
3-hydroxy-5-(4-isopropylphenyl)-4-(3-methoxybenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C27H32N2O5/c1-18(2)19-7-9-20(10-8-19)24-23(25(30)21-5-4-6-22(17-21)33-3)26(31)27(32)29(24)12-11-28-13-15-34-16-14-28/h4-10,17-18,24,31H,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,34,29,28,30,5,9,6,8,17,16,19,23,20,22,32,2,4,7,27,31,11,10,25,12,13,18,15,26,24,14,33,21/E:(1,2)(7,8)(9,10)(13,14)(15,16)/rA:34cCCCCCCCCCCCCCONCCNCCOCCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s12;s11;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O5 |
All Atoms: | 66 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.145 |
Area: | 720.003 |
Solvation: | -6.85509 |
Coulombic: | -64.0319 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 464.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.97 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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