Chemical ID: 7015788

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN4CCOCC4)O
Chemical ID:
7015788
Name [?]:
5-(3-chlorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN4CCOCC4)O
InChi [?]:
InChI=1/C26H29ClN2O5/c1-2-13-34-21-8-4-6-19(17-21)24(30)22-23(18-5-3-7-20(27)16-18)29(26(32)25(22)31)10-9-28-11-14-33-15-12-28/h3-8,16-17,23,31H,2,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,7,20,8,22,6,27,26,29,33,3,30,32,24,10,19,9,23,5,13,18,11,14,15,25,28,17,12,34,16,31,4/E:(11,12)(14,15)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCClCCNCCOCCO/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;s29;s30;s31;s28s32;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O5
All Atoms:63
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.7168
Area:742.365
Solvation:-6.84229
Coulombic:-64.3145
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:484.972
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.97
LogP (Chemaxon):1.39

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Descriptor Annotations

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