Chemical ID: 7015049

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCN(C)C)O
Chemical ID:
7015049
Name [?]:
4-(3-butoxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCCN(C)C)O
InChi [?]:
InChI=1/C27H34N2O6/c1-5-6-15-35-20-10-7-9-19(16-20)25(31)23-24(18-11-12-21(30)22(17-18)34-4)29(27(33)26(23)32)14-8-13-28(2)3/h7,9-12,16-17,24,30,32H,5-6,8,13-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,34,27,2,3,8,30,9,7,21,22,31,29,4,11,25,20,10,6,23,24,14,19,12,15,16,32,18,28,13,35,17,26,5/E:(2,3)/rA:35cCCCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s18;s29;s30;s31;s32;s32;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O6
All Atoms:69
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.7761
Area:766.001
Solvation:-8.37396
Coulombic:-77.8837
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:482.569
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.18
LogP (Chemaxon):-0.21

Name Annotations

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Descriptor Annotations

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