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Chemical ID: 7250433
Chemical ID:
7250433
Name [?]:
ethyl 4-[4-[(2-chlorophenyl)carbamoylmethoxy]-3-methoxy-phenyl]-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=O)NC1c2ccc(c(c2)OC)OCC(=O)Nc3ccccc3Cl)C)C
InChi [?]:
InChI=1/C24H26ClN3O6/c1-5-33-23(30)21-14(2)28(3)24(31)27-22(21)15-10-11-18(19(12-15)32-4)34-13-20(29)26-17-9-7-6-8-16(17)25/h6-12,22H,5,13H2,1-4H3,(H,26,29)(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,33,20,2,29,28,30,27,14,15,18,22,7,13,31,26,16,17,23,6,12,4,9,32,25,11,8,24,5,10,19,3,21/rA:34cCCOCOCCNCONCCCCCCCOCOCCONCCCCCCClCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClN3O6 |
All Atoms: | 60 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.84307 |
Area: | 696.325 |
Solvation: | -7.56505 |
Coulombic: | -84.3632 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.933 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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