Chemical ID: 7018920

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4cc(ccc4C)C
Chemical ID:
7018920
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4cc(ccc4C)C
InChi [?]:
InChI=1/C30H38N2O6/c1-5-6-15-38-24-10-9-22(19-25(24)36-4)27-26(28(33)23-18-20(2)7-8-21(23)3)29(34)30(35)32(27)12-11-31-13-16-37-17-14-31/h7-10,18-19,27,34H,5-6,11-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,38,37,13,2,3,34,35,8,7,21,20,23,27,4,24,26,32,10,33,36,9,31,6,11,15,14,29,16,17,22,19,30,28,18,12,25,5/E:(13,14)(16,17)/rA:38cCCCCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s24;s25;s22s26;s16;s15;d29;s29;s31;d32;s33;d34;d31s35;s36;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N2O6
All Atoms:76
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.4074
Area:784.71
Solvation:-8.21031
Coulombic:-71.355
Bond Count [?]
All:41
Single:32
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:522.633
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.44
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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