Chemical ID: 6009957

c1cc2c(cc1C(=O)N(CCN3CCCC3)CC(=O)Nc4ccon4)OCO2
Chemical ID:
6009957
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-N-(2-pyrrolidin-1-ylethyl)benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)N(CCN3CCCC3)CC(=O)Nc4ccon4)OCO2
InChi [?]:
InChI=1/C19H22N4O5/c24-18(20-17-5-10-28-21-17)12-23(9-8-22-6-1-2-7-22)19(25)14-3-4-15-16(11-14)27-13-26-15/h3-5,10-11H,1-2,6-9,12-13H2,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:14,15,1,2,22,13,16,11,10,23,5,17,27,6,3,4,21,18,7,20,25,12,9,19,8,28,26,24/E:(1,2)(6,7)/rA:28nCCCCCCCONCCNCCCCCCONCCCONOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s12s15;s9;s17;d18;s18;s20;s21;d22;s23;d21s24;s4;s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.38094
Area:590.857
Solvation:-6.39048
Coulombic:-60.4562
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.402
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.47
LogP (Chemaxon):1.23

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Descriptor Annotations

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