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Chemical ID: 7034158
Chemical ID:
7034158
Name [?]:
3-hydroxy-1-(3-methoxypropyl)-5-(3-pentoxyphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCCC
InChi [?]:
InChI=1/C29H37NO6/c1-4-6-7-19-36-24-11-8-10-22(20-24)26-25(28(32)29(33)30(26)16-9-18-34-3)27(31)21-12-14-23(15-13-21)35-17-5-2/h8,10-15,20,26,32H,4-7,9,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,23,2,35,3,4,9,20,10,8,28,32,29,31,19,34,21,5,12,27,11,30,7,14,13,25,15,16,18,26,24,17,22,33,6/E:(12,13)(14,15)/rA:36cCCCCCOCCCCCCCCCCONCCCOCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s15;s14;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H37NO6 |
All Atoms: | 73 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9297 |
Area: | 821.016 |
Solvation: | -7.59567 |
Coulombic: | -66.8362 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 495.607 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.9 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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