Chemical ID: 6614955

CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCN(CC)CC)O
Chemical ID:
6614955
Name [?]:
4-(4-butoxybenzoyl)-1-(3-diethylaminopropyl)-3-hydroxy-5-(4-tert-butylphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCN(CC)CC)O
InChi [?]:
InChI=1/C32H44N2O4/c1-7-10-22-38-26-18-14-24(15-19-26)29(35)27-28(23-12-16-25(17-13-23)32(4,5)6)34(31(37)30(27)36)21-11-20-33(8-2)9-3/h12-19,28,36H,7-11,20-22H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,35,37,27,28,29,2,34,36,3,31,21,25,8,10,22,24,7,11,32,30,4,20,9,23,6,14,19,12,15,16,26,33,18,13,38,17,5/E:(2,3)(4,5,6)(8,9)(12,13)(14,15)(16,17)(18,19)/rA:38cCCCCOCCCCCCCOCCCONCCCCCCCCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;s18;s30;s31;s32;s33;s34;s33;s36;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H44N2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:16.0792
Area:849.482
Solvation:-5.15785
Coulombic:-58.0499
Bond Count [?]
All:40
Single:31
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:520.703
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.34
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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