Chemical ID: 4897403

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCCOC)O
Chemical ID:
4897403
Name [?]:
5-(4-chlorophenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)Cl)CCCOC)O
InChi [?]:
InChI=1/C24H26ClNO5/c1-15(2)31-19-11-7-17(8-12-19)22(27)20-21(16-5-9-18(25)10-6-16)26(13-4-14-30-3)24(29)23(20)28/h5-12,15,21,28H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,27,20,24,7,9,21,23,6,10,26,28,2,19,8,22,5,13,18,11,14,15,25,17,12,31,16,29,4/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCClCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;s27;s28;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26ClNO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.183
Area:700.077
Solvation:-6.31896
Coulombic:-59.2299
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.92
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.79
LogP (Chemaxon):3.13

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Descriptor Annotations

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