Chemical ID: 6013960

c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(CCN3CCOCC3)C(=O)c4cccc(c4)Cl
Chemical ID:
6013960
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-3-chloro-N-(2-morpholinoethyl)benzamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccco2)C(=O)CN(CCN3CCOCC3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C27H30ClN3O4/c28-24-9-4-8-23(18-24)27(33)30(12-11-29-13-16-34-17-14-29)21-26(32)31(20-25-10-5-15-35-25)19-22-6-2-1-3-7-22/h1-10,15,18H,11-14,16-17,19-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,31,12,3,5,30,32,11,20,19,22,26,13,23,25,34,7,9,17,4,29,33,10,15,27,35,21,18,8,16,28,24,14/E:(2,3)(6,7)(13,14)(16,17)/rA:35nCCCCCCCNCCCCCOCOCNCCNCCOCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s18;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30ClN3O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.0871
Area:740.092
Solvation:-6.41522
Coulombic:-55.4572
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:495.998
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.08
LogP (Chemaxon):3.02

Name Annotations

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Descriptor Annotations

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