Chemical ID: 7014976

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCCN(C)C)O
Chemical ID:
7014976
Name [?]:
1-(3-dimethylaminopropyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C30H40N2O6/c1-7-37-23-11-8-10-22(18-23)28(33)26-27(32(30(35)29(26)34)16-9-15-31(4)5)21-12-13-24(25(19-21)36-6)38-17-14-20(2)3/h8,10-13,18-20,27,34H,7,9,14-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,30,31,36,37,25,2,6,33,7,5,19,20,28,34,32,27,9,23,29,18,8,4,21,22,12,17,10,13,14,35,16,11,38,15,24,3,26/E:(2,3)(4,5)/rA:38cCCOCCCCCCCOCCCONCCCCCCCOCOCCCCCCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;s29;s29;s16;s32;s33;s34;s35;s35;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.6369
Area:833.802
Solvation:-9.20815
Coulombic:-69.1667
Bond Count [?]
All:40
Single:31
Double:9
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.17
LogP (Chemaxon):0.5

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