Chemical ID: 7023121

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)C
Chemical ID:
7023121
Name [?]:
3-hydroxy-4-(4-methylbenzoyl)-1-(3-morpholinopropyl)-5-(4-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C30H38N2O5/c1-3-4-5-19-37-25-13-11-23(12-14-25)27-26(28(33)24-9-7-22(2)8-10-24)29(34)30(35)32(27)16-6-15-31-17-20-36-21-18-31/h7-14,27,34H,3-6,15-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,2,3,4,20,33,35,32,36,9,11,8,12,21,19,23,27,5,24,26,34,10,31,7,14,13,29,15,16,22,18,30,28,17,25,6/E:(7,8)(9,10)(11,12)(13,14)(17,18)(20,21)/rA:37cCCCCCOCCCCCCCCCCONCCCNCCOCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s15;s14;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N2O5
All Atoms:75
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.4631
Area:814.471
Solvation:-6.8987
Coulombic:-64.8087
Bond Count [?]
All:40
Single:31
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:506.633
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.28
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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