Chemical ID: 7015482

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN(C)C)O
Chemical ID:
7015482
Name [?]:
5-(3-chlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN(C)C)O
InChi [?]:
InChI=1/C24H27ClN2O4/c1-4-13-31-19-10-6-8-17(15-19)22(28)20-21(16-7-5-9-18(25)14-16)27(12-11-26(2)3)24(30)23(20)29/h5-10,14-15,21,29H,4,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,21,7,20,8,22,6,27,26,3,24,10,19,9,23,5,13,18,11,14,15,25,28,17,12,31,16,4/E:(2,3)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCClCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s17;s26;s27;s28;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27ClN2O4
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.9193
Area:699.412
Solvation:-5.56601
Coulombic:-56.4421
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.935
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.37
LogP (Chemaxon):0.73

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Descriptor Annotations

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