Chemical ID: 4311029

CC1=C(C(NC(=O)N1C)c2ccc(cc2)Cl)C(=O)OC3CCCC3
Chemical ID:
4311029
Name [?]:
cyclopentyl 4-(4-chlorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(cc2)Cl)C(=O)OC3CCCC3
InChi [?]:
InChI=1/C18H21ClN2O3/c1-11-15(17(22)24-14-5-3-4-6-14)16(20-18(23)21(11)2)12-7-9-13(19)10-8-12/h7-10,14,16H,3-6H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,9,22,23,21,24,11,15,12,14,2,10,13,20,3,4,17,6,16,5,8,18,7,19/E:(3,4)(5,6)(7,8)(9,10)/rA:24cCCCCNCONCCCCCCCClCOOCCCCC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.0603
Area:523.183
Solvation:-2.01924
Coulombic:-51.6231
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.824
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):2.18

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