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Chemical ID: 7018920
Chemical ID:
7018920
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4cc(ccc4C)C
InChi [?]:
InChI=1/C30H38N2O6/c1-5-6-15-38-24-10-9-22(19-25(24)36-4)27-26(28(33)23-18-20(2)7-8-21(23)3)29(34)30(35)32(27)12-11-31-13-16-37-17-14-31/h7-10,18-19,27,34H,5-6,11-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,38,37,13,2,3,34,35,8,7,21,20,23,27,4,24,26,32,10,33,36,9,31,6,11,15,14,29,16,17,22,19,30,28,18,12,25,5/E:(13,14)(16,17)/rA:38cCCCCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s24;s25;s22s26;s16;s15;d29;s29;s31;d32;s33;d34;d31s35;s36;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O6 |
All Atoms: | 76 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4074 |
Area: | 784.71 |
Solvation: | -8.21031 |
Coulombic: | -71.355 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 522.633 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.44 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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