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Chemical ID: 7019808
Chemical ID:
7019808
Name [?]:
1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C32H44N2O5/c1-7-10-11-19-39-26-16-15-24(21-27(26)38-6)29-28(30(35)25-20-22(4)13-14-23(25)5)31(36)32(37)34(29)18-12-17-33(8-2)9-3/h13-16,20-21,29,36H,7-12,17-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,26,28,39,38,14,2,25,27,3,4,22,35,36,9,8,23,21,5,33,11,34,37,10,32,7,12,16,15,30,17,18,24,20,31,29,19,13,6/E:(2,3)(8,9)/rA:39cCCCCCOCCCCCCOCCCCCONCCCNCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s25;s24;s27;s17;s16;d30;s30;s32;d33;s34;d35;d32s36;s37;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H44N2O5 |
All Atoms: | 83 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.3042 |
Area: | 848.394 |
Solvation: | -6.90563 |
Coulombic: | -64.0457 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 536.702 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.61 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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