Chemical ID: 4561662

CN1C(=O)C(=Cc2c(cc3c(c2OC)OCO3)CCN(C)C(=O)c4ccccc4)C(=O)N(C1=O)C
Chemical ID:
4561662
Name [?]:
N-[2-[6-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-7-methoxy-benzo[1,3]dioxol-5-yl]ethyl]-N-methyl-benzamide
SMILES [?]:
CN1C(=O)C(=Cc2c(cc3c(c2OC)OCO3)CCN(C)C(=O)c4ccccc4)C(=O)N(C1=O)C
InChi [?]:
InChI=1/C25H25N3O7/c1-26(22(29)15-8-6-5-7-9-15)11-10-16-12-19-21(35-14-34-19)20(33-4)17(16)13-18-23(30)27(2)25(32)28(3)24(18)31/h5-9,12-13H,10-11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:21,1,35,14,27,26,28,25,29,18,19,9,6,16,24,8,7,5,10,12,11,22,3,30,33,20,2,32,23,4,31,34,13,17,15/E:(2,3)(6,7)(8,9)(23,24)(27,28)(30,31)/rA:35nCNCOCCCCCCCCOCOCOCCNCCOCCCCCCCONCOC/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;s10s16;s8;s18;s19;s20;s20;d22;s22;s24;d25;s26;d27;d24s28;s5;d30;s30;s2s32;d33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25N3O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:10.8111
Area:682.152
Solvation:-6.2427
Coulombic:-86.3103
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:479.482
H-Bond Donors:0
H-Bond Acceptors:10
XLogP:2.06
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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