Chemical ID: 4836725

CC(C)c1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4cccc(c4)OC
Chemical ID:
4836725
Name [?]:
3-hydroxy-5-(4-isopropylphenyl)-4-(3-methoxybenzoyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C28H34N2O5/c1-19(2)20-8-10-21(11-9-20)25-24(26(31)22-6-4-7-23(18-22)34-3)27(32)28(33)30(25)13-5-12-29-14-16-35-17-15-29/h4,6-11,18-19,25,32H,5,12-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,35,30,17,29,31,5,9,6,8,18,16,20,24,21,23,33,2,4,7,28,32,11,10,26,12,13,19,15,27,25,14,34,22/E:(1,2)(8,9)(10,11)(14,15)(16,17)/rA:35cCCCCCCCCCCCCCONCCCNCCOCCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;s12;s11;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.6795
Area:748.736
Solvation:-7.03889
Coulombic:-63.8873
Bond Count [?]
All:38
Single:29
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:478.58
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.33
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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