Chemical ID: 7035073

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)Cl
Chemical ID:
7035073
Name [?]:
4-(4-chlorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C27H26ClNO5/c1-2-3-4-14-33-21-8-5-7-19(16-21)24-23(25(30)18-10-12-20(28)13-11-18)26(31)27(32)29(24)17-22-9-6-15-34-22/h5-13,15-16,24,31H,2-4,14,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,22,10,8,21,29,33,30,32,5,23,12,19,28,11,31,7,20,14,13,26,15,16,34,18,27,25,17,6,24/E:(10,11)(12,13)/rA:34cCCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;d20;s21;d22;s20s23;s15;s14;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26ClNO5
All Atoms:60
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.1826
Area:745.041
Solvation:-6.44346
Coulombic:-58.6085
Bond Count [?]
All:37
Single:26
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.952
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.06
LogP (Chemaxon):4.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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