Chemical ID: 7015454

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O
Chemical ID:
7015454
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O
InChi [?]:
InChI=1/C24H26Cl2N2O4/c1-4-12-32-17-7-5-6-16(13-17)22(29)20-21(15-8-9-18(25)19(26)14-15)28(11-10-27(2)3)24(31)23(20)30/h5-9,13-14,21,30H,4,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,7,8,6,20,21,28,27,3,10,24,19,9,5,22,23,13,18,11,14,15,26,25,29,17,12,32,16,4/E:(2,3)/rA:32cCCCOCCCCCCCOCCCONCCCCCCCClClCCNCCO/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;s22;s17;s27;s28;s29;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26Cl2N2O4
All Atoms:58
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.5864
Area:726.192
Solvation:-5.56836
Coulombic:-56.5542
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:477.38
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.99
LogP (Chemaxon):1.2

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