Chemical ID: 7015964

CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(CC)CC)O
Chemical ID:
7015964
Name [?]:
4-(3-butoxybenzoyl)-5-(3,4-dichlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(CC)CC)O
InChi [?]:
InChI=1/C27H32Cl2N2O4/c1-4-7-15-35-20-10-8-9-19(16-20)25(32)23-24(18-11-12-21(28)22(29)17-18)31(27(34)26(23)33)14-13-30(5-2)6-3/h8-12,16-17,24,33H,4-7,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,34,2,31,33,3,8,9,7,21,22,29,28,4,11,25,20,10,6,23,24,14,19,12,15,16,27,26,30,18,13,35,17,5/E:(2,3)(5,6)/rA:35cCCCCOCCCCCCCOCCCONCCCCCCCClClCCNCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s24;s23;s18;s28;s29;s30;s31;s30;s33;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32Cl2N2O4
All Atoms:67
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.5541
Area:800.551
Solvation:-5.45966
Coulombic:-57.2243
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:519.459
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.41
LogP (Chemaxon):2.26

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