Chemical ID: 6117391

CCCCN(CCCC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3ccc(cc3)C
Chemical ID:
6117391
Name [?]:
1-(3-dibutylaminopropyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCN(CCCC)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3ccc(cc3)C
InChi [?]:
InChI=1/C29H37FN2O3/c1-4-6-17-31(18-7-5-2)19-8-20-32-26(22-11-9-21(3)10-12-22)25(28(34)29(32)35)27(33)23-13-15-24(30)16-14-23/h9-16,26,34H,4-8,17-20H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,35,2,8,3,7,11,31,33,30,34,23,27,24,26,4,6,10,12,32,29,22,25,15,14,20,16,17,28,5,13,21,19,18/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35cCCCCNCCCCCCCNCCCCOOCOCCCCCCFCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;d15;s13s16;d17;s16;s15;d20;s20;s22;d23;s24;d25;d22s26;s25;s14;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H37FN2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.0927
Area:767.035
Solvation:-5.08314
Coulombic:-53.9614
Bond Count [?]
All:37
Single:28
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:480.614
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.71
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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