Chemical ID: 6023004

c1ccc(cc1)C(C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4cccs4)C5CC5)Cl
Chemical ID:
6023004
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-2-chloro-N-cyclopropyl-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc4cccs4)C5CC5)Cl
InChi [?]:
InChI=1/C26H25ClN2O4S/c27-25(19-5-2-1-3-6-19)26(31)29(20-9-10-20)16-24(30)28(15-21-7-4-12-34-21)14-18-8-11-22-23(13-18)33-17-32-22/h1-8,11-13,20,25H,9-10,14-17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,28,3,5,27,17,32,33,18,29,21,15,25,11,23,16,4,31,26,19,20,12,7,8,34,14,10,13,9,24,22,30/E:(2,3)(5,6)(9,10)/rA:34cCCCCCCCCONCCONCCCCCCCOCOCCCCCSCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s14;s25;d26;s27;d28;s26s29;s10;s31;s31s32;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25ClN2O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.1228
Area:700.993
Solvation:-5.40207
Coulombic:-52.6605
Bond Count [?]
All:38
Single:28
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:497.006
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.68
LogP (Chemaxon):4.24

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Descriptor Annotations

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