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Chemical ID: 4582090

COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)C6CC6

Chemical ID:

4582090

Name [?]:

None

SMILES [?]:

COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)C6CC6

InChi [?]:

InChI=1/C25H23N3O4/c1-32-25(31)15-8-6-14(7-9-15)23-22-18(17-4-2-3-5-19(17)26-22)12-20-24(30)27(16-10-11-16)13-21(29)28(20)23/h2-9,16,20,23,26H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,16,17,15,18,7,9,6,10,31,32,21,26,8,5,30,14,13,19,22,24,12,11,28,3,20,27,23,25,29,4,2/E:(6,7)(8,9)(10,11)/rA:32cCOCOCCCCCCCCCCCCCCCNCCNCOCNCOCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s21;s11s22;s23;d24;s24;s26;s22s27;d28;s27;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	11.2774
Area:	624.841
Solvation:	-4.34365
Coulombic:	-64.9324

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	429.468
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.42
LogP (Chemaxon):	2.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value