기본 정보
- CAS
294877-51-3- 표준 SMILES
CC(=O)C1=NN(c2cccc(Cl)c2)C2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1- InChIKey
JLGHDLLPFQFGAO-UHFFFAOYSA-N- 분자식
- C30H23ClN4OS
- 평균 분자량
- 523 g/mol
이름 및 식별자
- 우선 이름
- 1-[4-(3-Chlorophenyl)-4'-(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
- IUPAC
- 1-[4-(3-chlorophenyl)-4'-(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanone
- 영어명
- 1-[4'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-1,2,4',5'-tetrahydrospiro(phthalazine-1,5'-[1,3,4]-thiadiazole)-2'-yl]ethanone
- 분자식
- C30H23ClN4OS
- 분자량
- 523.05
이름 및 동의어
1-[3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanoneChemDiv1_021092HMS646O16STK733657AKOS001610719AKOS0219887251-[4-(3-chlorophenyl)-4'-(4-methylphenyl)-2'-phenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-yl]ethanoneAG-205/370660881-(3'-(3-chlorophenyl)-2-phenyl-4-(p-tolyl)-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl)ethanone1-[3'-(3-CHLOROPHENYL)-4-(4-METHYLPHENYL)-2-PHENYL-2H,3'H-SPIRO[PHTHALAZINE-1,2'-[1,3,4]THIADIAZOL]-5'-YL]ETHAN-1-ONE1-[4'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenyl-1,2,4',5'-tetrahydrospiro(phthalazine-1,5'-[1,3,4]-thiadiazole)-2'-yl]ethanoneEthanone, 1-[3'-(3-chlorophenyl)-4-(4-methylphenyl)-2-phenylspiro[phthalazine-1(2H),2'(3'H)-[1,3,4]thiadiazol]-5'-yl]-
데이터베이스 식별자
- CAS
294877-51-3
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 73.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 911
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