Chemical ID: 7015514

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCCC)CCN(C)C)O
Chemical ID:
7015514
Name [?]:
4-(3-butoxybenzoyl)-5-(4-butoxy-3-methoxy-phenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCCC)CCN(C)C)O
InChi [?]:
InChI=1/C30H40N2O6/c1-6-8-17-37-23-12-10-11-22(19-23)28(33)26-27(32(16-15-31(3)4)30(35)29(26)34)21-13-14-24(25(20-21)36-5)38-18-9-7-2/h10-14,19-20,27,34H,6-9,15-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,36,37,27,2,31,3,30,8,9,7,21,22,34,33,4,29,11,25,20,10,6,23,24,14,19,12,15,16,35,18,13,38,17,26,5,28/E:(3,4)/rA:38cCCCCOCCCCCCCOCCCONCCCCCCCOCOCCCCCCNCCO/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;s28;s29;s30;s31;s18;s33;s34;s35;s35;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.0306
Area:840.087
Solvation:-8.97159
Coulombic:-69.9087
Bond Count [?]
All:40
Single:31
Double:9
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.23
LogP (Chemaxon):1.33

Name Annotations

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Descriptor Annotations

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