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Chemical ID: 7015788
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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